Category: 14047-28-0

14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, molecular formula is C8H11N5O, belongs to piperidines compound, is a common compound. In a patnet, author is Zheng, Chao, once mentioned the new application about 14047-28-0, Category: piperidines.

The Pictet-Spengler reaction is a fundamental named reaction in organic chemistry, and it is the most straightforward method for the synthesis of tetrahydro-beta-carbolines, a core structure embedded in numerous alkaloids. Spiroindolenines are often proposed as possible intermediates in Pictet-Spengler reactions. However, whether the spiroindolenine species is an intermediate in the mechanism of the asymmetric Pictet-Spengler reaction remains unclear. Questions about the role of the spiroindolenine species regarding the mechanism include the following: Can the spiroindolenine species be formed effectively under Pictet-Spengler conditions? If so, what is its fate? Is the delivery of the enantioenriched tetrahydro-beta-carboline product related to the spiroindolenine intermediate? Previous studies regarding these questions have not reached a consensus. Therefore, elucidating these questions will advance the field of synthetic organic chemistry. The first highly enantioselective synthesis of spiroindolenines that have the same molecular scaffold as the proposed key intermediate of the Pictet-Spengler reaction was accomplished by an Ir-catalyzed intramolecular asymmetric allylic substitution reaction of an indol-3-yl allylic carbonate. In this reaction, a piperidine, pyrrolidine, or cydopentane ring can be introduced in conjunction with the indolenine structure. Spiroindolenines were found to undergo ring-expansive migration reactions when treated with a catalytic amount of an acid, leading to tetrahydro-beta-carbolines or related tetrahydrocarbazoles. Comprehensive DFT calculations and Born-Oppenheimer molecular dynamics simulations have provided insight into the mechanism of the migration process. It has been found that the stereochemistry is strongly correlated with the electronic properties of the migratory group along with the acidity of the catalyst. Close interactions between the positively charged migratory group and the electron-rich indole ring favor the stereospecificity of the migration. Furthermore, a continuous mechanistic spectrum of the Pictet-Spengler reactions can be obtained on the basis of two readily accessible energetic parameters that are derived from computed energies for competing transition states relative to a key intermediate species. This theoretical model provides a unified mechanistic understanding of the asymmetric Pictet-Spengler reaction, which has been further supported by rationally designed prototype reactions. Chemically and stereochemically controllable migration can be achieved when multiple potential migratory groups are available. The reactivity of spiroindolenines has also been explored beyond Pictet-Spengler reactions. A one-pot Ir-catalyzed asymmetric allylic dearomatization/stereoconvergent migration allows the facile synthesis of enantioenriched tetrahydro-beta-carbolines from racemic starting materials. An unprecedented six- to seven-membered ring-expansive migration can be achieved when a vinyliminium moiety is involved as a highly reactive migratory group. This reaction facilitates the stereoselective synthesis of thermodynamically challenging indole-annulated seven-membered rings. It has also been found that the migration process can be interrupted. The electrophilic migratory group released from the retro-Mannich reaction of a spiroindolenine can be captured by an inter- or intramolecular nucleophile, thus providing new entries into structurally diverse polycyclic indole derivatives. Therefore, the mechanism of the Pictet-Spengler reaction can be probed by manipulating the reactivity of the spiroindolenine species. In turn, the mechanistic insights gained herein will aid in chemical transformations toward various target molecules. This study serves as a vivid example of the positive interplay between experimental and theoretical investigations in synthetic organic chemistry.

We’ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 14047-28-0. The above is the message from the blog manager. Category: piperidines.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Related Products of 14047-28-0, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, SMILES is C[C@@H](O)CN1C=NC2=C(N)N=CN=C12, belongs to piperidines compound. In a article, author is Baghershiroudi, Mahrokh, introduce new discover of the category.

Synthesis and antibacterial evaluation of new sulfanyltetrazole derivatives bearing piperidine dithiocarbamate moiety

A series of new alkyl or aryl sulfanyltetrazole derivatives containing dithiocarbamate moiety (5a-6e) were synthesized. The structures of the compounds were characterized by IR, H-1 NMR, C-13 NMR spectra, and elemental analysis data. The present study examines the antibacterial potential of novel synthetic sulfanyltetrazole compounds against clinically important gram-positive and -negative strains. The results of screening showed that attachment of dithiocarbamate to sulfanyltetrazole derivatives results in enhancement of antibacterial activity. The compound 6d showed the best activity among the tested compounds. Also, the less polar 2,5-disubstituted sulfanyltetrazole regioisomers showed an increased antibacterial activity compared with the corresponding more polar regioisomers. [GRAPHICS] .

Related Products of 14047-28-0, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 14047-28-0 is helpful to your research.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

In an article, author is Arulraj, R., once mentioned the application of 14047-28-0, SDS of cas: 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, molecular formula is C8H11N5O, molecular weight is 193.2058, MDL number is MFCD07369451, category is piperidines. Now introduce a scientific discovery about this category.

Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6-diphenylpiperidin-4-one

A newly synthesized molecular complex 3-chloro-3-methyl-2,6-diphenylpiperidin-4-one [CMDP] crystallizes in the triclinic space group Pl. The pipe ridin-4-one ring exhibits a distorted chair conformation with the puckering parameters Q= 0.559 (3) angstrom. theta = 173.3 (3 degrees) and phi = 180 (2 degrees). The methyl substituent on the third position of the piperidine ring takes up a syn-periplanar positioning although the chioro substituent takes up an anti-clinical positioning with dihedral angle: Cl1-C2-C1-O1 = 1133 (2 degrees) due to the repulsion from an adjacent oxygen atom. The optimized molecular geometry and fundamental vibrational frequencies of the CMDP compounds are interpreted with the help of normal coordinate force field calculations based on DFT method B3LYP/6-31-i-G (d,p) level basis set. The HOMO-LUMO energy gap of the molecule is 5.4194 eV. The hardness value (eta) of the CMDP molecule is 2.7097 eV. Hirshfeld surface analysis and fingerprint plots are supportive for determining the molecular shape and visually analyzing the intermolecular interactions in the crystal structure. The Hirshfeld surfaces like d(i), d(e). d(norm), shape index and curvedness of C18H18NOCl were pictured and discussed. The various levels of electronic transitions have been predicted by Time-Dependent Density Functional Theory (TD-DFT) calculations and compared with the recorded absorption spectrum. Molecular docking study was performed and reported for the synthesized compound against 4ey7 protein. (C) 2020 Elsevier B.V. All rights reserved.

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Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, formurla is C8H11N5O. In a document, author is Chen, Feng, introducing its new discovery. SDS of cas: 14047-28-0.

Hydrogenation of Pyridines Using a Nitrogen-Modified Titania-Supported Cobalt Catalyst

Novel heterogeneous catalysts were prepared by impregnation of titania with a solution of cobalt acetate/melamine and subsequent pyrolysis. The resulting materials show an unusual nitrogen-modified titanium structure through partial implementation of nitrogen into the support. The optimal catalyst displayed good activity and selectivity for challenging pyridine hydrogenation under acid free conditions in water as solvent.

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Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, HPLC of Formula: C8H11N5O, 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, SMILES is C[C@@H](O)CN1C=NC2=C(N)N=CN=C12, belongs to piperidines compound. In a document, author is Wagener, Tobias, introduce the new discover.

Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation

Fluorinated piperidines are desirable motifs for pharmaceutical and agrochemical research. Nevertheless, general synthetic access remains out of reach. Herein, we describe a simple and robust cis-selective hydrogenation of abundant and cheap fluoropyridines to yield a broad scope of (multi)fluorinated piperidines. This protocol enables the chemoselective reduction of fluoropyridines while tolerating other (hetero)-aromatic systems using a commercially available heterogenous catalyst. Fluorinated derivatives of important drug compounds are prepared, and a straightforward strategy for the synthesis of enantioenriched fluorinated piperidines is disclosed.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 14047-28-0. HPLC of Formula: C8H11N5O.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Formula: C8H11N5O, 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, molecular formula is C8H11N5O, belongs to piperidines compound. In a document, author is Gressies, Steffen, introduce the new discover.

Ligand-Enabled Enantioselective C-sp3-H Activation of Tetrahydroquinolines and Saturated Aza-Heterocycles by Rh-I

The first rhodium(I)-catalyzed enantioselective intermolecular C-sp3-H activation of various saturated aza-heterocycles including tetrahydroquinolines, piperidines, piperazines, azetidines, pyrrolidines, and azepanes is presented. The combination of a rhodium(I) precatalyst and a chiral monodentate phosphonite ligand is shown to be a powerful catalytic system to access a variety of important enantio-enriched heterocycles from simple starting materials. Notably, the C-sp3-H activation of tetrahydroquinolines is especially challenging due to the adjacent C-sp2-H bond. This redox-neutral methodology provides a new synthetic route to -N-arylated heterocycles with high chemoselectivity and enantioselectivity up to 97%ee.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 14047-28-0. Formula: C8H11N5O.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products, COA of Formula: C8H11N5O, 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, molecular formula is C8H11N5O, belongs to piperidines compound. In a document, author is Gisbert, Patricia, introduce the new discover.

Oxidative Coupling-Thionation of Amines Mediated by Iron-Based Imidazolium Salts for the Preparation of Thioamides

An efficient and selective multicomponent oxidative coupling, involving the use of two different amines, sodium phosphate, and elemental sulfur have been described for the preparation of thioamides, employing microwave irradiation. The use of an iron(III)-based imidazolium salt is essential as catalyst. Indeed, the iron-based catalyst is involved in the oxidative coupling of the two amines and in the subsequent C-S bond formation. The protocol is useful for a wide variety of primary benzylamines and alkylamines, as coupling partners. Thus, various electron-rich and electron-poor substituents in the aromatic rings and also fused piperidine derivatives, are suitable starting materials in this reaction. Some of the obtained products are important synthetic intermediates for natural products.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 14047-28-0. COA of Formula: C8H11N5O.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Related Products of 14047-28-0, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, SMILES is C[C@@H](O)CN1C=NC2=C(N)N=CN=C12, belongs to piperidines compound. In a article, author is Schlapbach, Achim, introduce new discover of the category.

N-aryl-piperidine-4-carboxamides as a novel class of potent inhibitors of MALT1 proteolytic activity

Starting from a weak screening hit, potent and selective inhibitors of the MALT1 protease function were elaborated. Advanced compounds displayed high potency in biochemical and cellular assays. Compounds showed activity in a mechanistic Jurkat T cell activation assay as well as in the B-cell lymphoma line OCI-Ly3, which suggests potential use of MALT1 inhibitors in the treatment of autoimmune diseases as well as B-cell lymphomas with a dysregulated NF-kappa B pathway. Initially, rat pharmacokinetic properties of this compound series were dominated by very high clearance which could be linked to amide cleavage. Using a rat hepatocyte assay a good in vitro-in vivo correlation could be established which led to the identification of compounds with improved PK properties. (C) 2018 Elsevier Ltd. All rights reserved.

Related Products of 14047-28-0, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 14047-28-0 is helpful to your research.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, molecular formula is C8H11N5O, belongs to piperidines compound, is a common compound. In a patnet, author is Zhanel, George G., once mentioned the new application about 14047-28-0, SDS of cas: 14047-28-0.

Imipenem-Relebactam and Meropenem-Vaborbactam: Two Novel Carbapenem-beta-Lactamase Inhibitor Combinations

Relebactam (formerly known as MK-7655) is a non-beta-lactam, bicyclic diazabicyclooctane, beta-lactamase inhibitor that is structurally related to avibactam, differing by the addition of a piperidine ring to the 2-position carbonyl group. Vaborbactam (formerly known as RPX7009) is a non-beta-lactam, cyclic, boronic acid-based, beta-lactamase inhibitor. The structure of vaborbactam is unlike any other currently marketed beta-lactamase inhibitor. Both inhibitors display activity against Ambler class A [including extended-spectrum beta-lactamases (ESBLs), Klebsiella pneumoniae carbapenemases (KPCs)] and class C beta-lactamases (AmpC). Little is known about the potential for relebactam or vaborbactam to select for resistance; however, inactivation of the porin protein OmpK36 in K. pneumoniae has been reported to confer resistance to both imipenem-relebactam and meropenem-vaborbactam. The addition of relebactam significantly improves the activity of imipenem against most species of Enterobacteriaceae [by lowering the minimum inhibitory concentration (MIC) by 2- to 128-fold] depending on the presence or absence of beta-lactamase enzymes. Against Pseudomonas aeruginosa, the addition of relebactam also improves the activity of imipenem (MIC reduced eightfold). Based on the data available, the addition of relebactam does not improve the activity of imipenem against Acinetobacter baumannii, Stenotrophomonas maltophilia and most anaerobes. Similar to imipenem-relebactam, the addition of vaborbactam significantly (2- to > 1024-fold MIC reduction) improves the activity of meropenem against most species of Enterobacteriaceae depending on the presence or absence of beta-lactamase enzymes. Limited data suggest that the addition of vaborbactam does not improve the activity of meropenem against A. baumannii, P. aeruginosa, or S. maltophilia. The pharmacokinetics of both relebactam and vaborbactam are described by a two-compartment, linear model and do not appear to be altered by the co-administration of imipenem and meropenem, respectively. Relebactam’s approximate volume of distribution (V (d)) and elimination half-life (t (A 1/2)) of similar to 18 L and 1.2-2.1 h, respectively, are similar to imipenem. Likewise, vaborbactam’s V (d) and t(A 1/2) of similar to 18 L and 1.3-2.0 h, respectively, are comparable to meropenem. Like imipenem and meropenem, relebactam and vaborbactam are both primarily renally excreted, and clearance correlates with creatinine clearance. In vitro and in vivo pharmacodynamic studies have reported bactericidal activity for imipenem-relebactam and meropenem-vaborbactam against various Gram-negative beta-lactamase-producing bacilli that are not inhibited by their respective carbapenems alone. These data also suggest that pharmacokinetic-pharmacodynamic parameters correlating with efficacy include time above the MIC for the carbapenems and overall exposure for their companion beta-lactamase inhibitors. Phase II clinical trials to date have reported that imipenem-relebactam is as effective as imipenem alone for treatment of complicated intra-abdominal infections and complicated urinary tract infections, including acute pyelonephritis. Imipenem-relebactam is currently in two phase III clinical trials for the treatment of imipenem-resistant bacterial infections, as well as hospital-associated bacterial pneumonia (HABP) and ventilator-associated bacterial pneumonia (VABP). A phase III clinical trial has reported superiority of meropenem-vaborbactam over piperacillin-tazobactam for the treatment of complicated urinary tract infections, including acute pyelonephritis. Meropenem-vaborbactam has recently demonstrated higher clinical cure rates versus best available therapy for the treatment of carbapenem-resistant Enterobacteriaceae (CRE), as well as for HABP and VABP. The safety and tolerability of imipenem-relebactam and meropenem-vaborbactam has been reported in various phase I pharmacokinetic studies and phase II and III clinical trials. Both combinations appear to be well tolerated in healthy subjects and hospitalized patients, with few serious drug-related treatment-emergent adverse events reported to date. In conclusion, relebactam and vaborbactam serve to broaden the spectrum of imipenem and meropenem, respectively, against beta-lactamase-producing Gram-negative bacilli. The exact roles for imipenem-relebactam and meropenem-vaborbactam will be defined by efficacy and safety data from further clinical trials. Potential roles in therapy for these agents include the treatment of suspected or documented infections caused by resistant Gram-negative bacilli-producing ESBL, KPC, and/or AmpC beta-lactamases. The usage of these agents in patients with CRE infections will likely become the standard of care. Finally, increased activity of imipenem-relebactam against P. aeruginosa may be of clinical benefit to patients with suspected or documented P. aeruginosa infections.

We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 14047-28-0. The above is the message from the blog manager. SDS of cas: 14047-28-0.

Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 14047-28-0, Name is (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, molecular formula is C8H11N5O. In an article, author is Socha, Pawel,once mentioned of 14047-28-0, Formula: C8H11N5O.

Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine – a structural and computational study

The structures and interactions in four new hydrates of substituted piperidines have been studied using X-ray crystallography and quantum chemistry. The piperidine ring substitution leads to a significant reduction in the number of hydrates compared with the parent amine, with 4-methylpiperidine yielding a hemihydrate and a trihydrate; 4-chloropiperidine a monohydrate and a trihydrate, (where the architecture is similar to 4-methylpiperidine trihydrate). Despite many attempts, it did not prove possible to crystallize hydrates with higher molar amine : water ratios. Therefore, trihydrates are probably the most hydrated crystals to be obtained at ambient pressure for both amines. Both trihydrates create identical water layers of the L4(6)5(7)6(8) type and the main structural difference is the arrangement of hydrogen bonds between water layers and amines. Despite this, both trihydrates have the same melting temperature (263 K) and as supported by lattice energy calculations. Chlorine.chlorine contacts have no significant impact on the stabilization of the 4-chloropiperidine monohydrate or the 4-chloropiperidine trihydrate. Periodic DFT-D3 calculations show that the energies of the water layers are identical in both cases, and the summed hydrogen bond energies (although arranged differently) are similar. Moreover, in the case of trihydrates, which have a 2-D topology of water…water interactions, it is possible to perform DFT calculations for separate layers and to determine the contribution of those interaction energies to the cohesive energy of the whole crystals.

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Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem