Day: April 2, 2022

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 63295-48-7, is researched, SMILESS is O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Fe+3], Molecular C3F9FeO9S3Journal, Canadian Journal of Chemistry called Synthesis and structural studies of iron(II) and iron(III) sulfonates, Author is Haynes, John S.; Sams, John R.; Thompson, Robert C., the main research direction is iron sulfonate preparation structure; magnetic moment iron sulfonate; isomerism cobalt zinc methanesulfonate; methanesulfonate transition metal; toluenesulfonate iron; fluoromethanesulfonate iron.SDS of cas: 63295-48-7.

Fe(CF3SO3)2 and Fe(p-MeC6H4SO3)2 were prepared and on the basis of vibrational and electronic spectra and magnetic and Moessbauer data were assigned a layer lattice structure involving hexacoordinated Fe(II) and terdentate bridging anions. The FeO6 chromophore in these compounds is distorted by a trigonal elongation along the C3 axis. Fe(MeSO3)2 was obtained in 2 isomeric forms, 1 having a trigonal elongation of the FeO6 chromophore, the other a trigonal compression. No structural isomerism was found for the other Fe(II) sulfonates; however, evidence for such isomerism in methanesulfonates of Co(II) and Zn(II) is presented. While Fe(CF3SO3)2 and Fe(p-MeC6H4SO3)2 appear to be magnetically dilute, the presence of antiferromagnetic coupling in both forms of Fe(MeSO3)2 is indicated. Fe(CF3SO3)3, Fe(p-MeC6H4SO3)3, and Fe(MeSO3)3 were prepared and all 3 are magnetically concentrated exhibiting magnetic moments which are significantly less than 5.92 μB and which decrease with decreasing temperature

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Synthetic Route of C5H10ClF2N. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 4,4-Difluoropiperidine hydrochloride, is researched, Molecular C5H10ClF2N, CAS is 144230-52-4, about A Structure-Activity Relationship Study of Novel Hydroxamic Acid Inhibitors around the S1 Subsite of Human Aminopeptidase N. Author is Lee, Jisook; Drinkwater, Nyssa; McGowan, Sheena; Scammells, Peter.

Aminopeptidase N (APN/CD13) is a zinc-dependent ubiquitous transmembrane ectoenzyme that is widely present in different types of cells. APN is one of the most extensively studied metalloaminopeptidases as an anti-cancer target due to its significant role in the regulation of metastasis and angiogenesis. Previously, we identified a potent and selective APN inhibitor, N-(2-(Hydroxyamino)-2-oxo-1-(3′,4′,5′-trifluoro-[1,1′-biphenyl]-4-yl)ethyl)-4-(methylsulfonamido)benzamide (3). Herein, we report the further modifications performed to explore SAR around the S1 subsite of APN and to improve the physicochem. properties. A series of hydroxamic acid analogs were synthesized, and the pharmacol. activities were evaluated in vitro. N-(1-(3′-Fluoro-[1,1′-biphenyl]-4-yl)-2-(hydroxyamino)-2-oxoethyl)-4-(methylsulfonamido)benzamide (6 f) was found to display an extremely potent inhibitory activity in the sub-nanomolar range.

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Journal of Medicinal Chemistry called 1,4-Oxazine β-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads, Author is Rombouts, Frederik J. R.; Tresadern, Gary; Delgado, Oscar; Martinez-Lamenca, Carolina; Van Gool, Michiel; Garcia-Molina, Aranzazu; Alonso de Diego, Sergio A.; Oehlrich, Daniel; Prokopcova, Hana; Alonso, Jose Manuel; Austin, Nigel; Borghys, Herman; Van Brandt, Sven; Surkyn, Michel; De Cleyn, Michel; Vos, Ann; Alexander, Richard; Macdonald, Gregor; Moechars, Dieder; Gijsen, Harrie; Trabanco, Andres A., which mentions a compound: 23794-15-2, SMILESS is CC(=O)C1=CC(Cl)=NC=C1, Molecular C7H6ClNO, Quality Control of 1-(2-chloropyridine-4-yl)ethanone.

1,4-Oxazines are presented, which show good in vitro inhibition in enzymic and cellular BACE1 assays. We describe lead optimization focused on reducing the amidine pKa while optimizing interactions in the BACE1 active site. Our strategy permitted modulation of properties such as permeation and especially P-glycoprotein efflux. This led to compounds which were orally bioavailable, centrally active, and which demonstrated robust lowering of brain and CSF Aβ levels, resp., in mouse and dog models. The amyloid lowering potential of these mols. makes them valuable leads in the search for new BACE1 inhibitors for the treatment of Alzheimer’s disease.

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Application In Synthesis of Tris(3,5-bis(trifluoromethyl)phenyl)phosphine. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: Tris(3,5-bis(trifluoromethyl)phenyl)phosphine, is researched, Molecular C24H9F18P, CAS is 175136-62-6, about Substituent effects on aurophilicity and π-π interaction in crystals of arylphosphine-Au(I) derivatives. Synthesis and x-ray structural studies of compounds (CX3C6H4)3P-Au-X and {(CF3)2C6H3}3P-Au-X. Author is Nunokawa, Keiko; Onaka, Satoru; Tatematsu, Tsutomu; Ito, Mitsuhiro; Sakai, Jyun.

Substituent effects on aurophilic interactions were explored by single-crystal x-ray diffraction methods for Au(I) complexes of monodentate phosphines, R’3P-Au-X (X = Cl, Sph, and Spy). When a CF3 substituent is introduced at a meta position of the Ph ring in Ph3P, aurophilicity was accrued in ClAuP(m-CF3C6H4)3. However, aurophilicity was weakened by introducing two CF3 groups at both meta positions. When a CF3 substituent is substituted for a H atom in the para position or when a CH3 substituent is introduced in the meta and/or para positions, such an effect was not observed for R’3PAuCl and R’3PAuSph. Most dimers constructed by aurophilicity appear to be reinforced by π-π interactions between the Ph ring of the Sph ligand or the pyridine ring of the Spy ligand and one of the Ph rings in the R’3P ligand. A novel ladder-like supra mol. architecture is created in the crystal of {3,5-(F3C)2C6H3}3PAuSph, and a tetramer is formed in the crystal of Ph3PAuSpy by aurophilic and π-π interactions. Substituent effects on important bond lengths are discussed.

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Yang, Yihui; Diederich, Francois; Valentine, Joan Selverstone published the article 《Reaction of cyclohexene with iodosylbenzene catalyzed by non-porphyrin complexes of iron(III) and aluminum(III). Newly discovered products and a new mechanistic proposal》. Keywords: cyclohexene oxidation iodosylbenzene mechanism.They researched the compound: Iron(III) trifluoromethanesulfonate( cas:63295-48-7 ).Recommanded Product: 63295-48-7. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:63295-48-7) here.

Reactions of cyclohexene with iodosylbenzene (OIPh) catalyzed by non-porphyrin iron(III) and aluminum(III) complexes are reported. In addition to epoxide, other products have been observed, including cis-1,2-cyclohexanediol ditriflate, 3-acetamidocyclohexene, and 1,4-diiodobenzene. Amide oxygen in 3-acetamidocyclohexene is derived from iodosylbenzene as verified by isotopic labeling using 18OIPh. The presence of these products suggests strongly that these reactions are similar to those of iodine(III)-containing compounds which are known to react with olefins in the absence of any metal catalysts. A new mechanism is proposed which involves electrophilic attack on olefin by the iodine(III) center in a metal complex of an iodine(III)-containing ligand derived from iodosylbenzene and which accounts for all of the products.

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Reaction of dihalopropionic acids and their nitriles with tertiary amines, published in 2004, which mentions a compound: 600-05-5, mainly applied to amine tertiary dehydrohalogenation dihalopropionic acid dihalopropionitrile; pyridine vinylation dihalopropionic acid; haloacrylic acid preparation; vinylpyridinium halide preparation, Recommanded Product: 600-05-5.

The reaction of 2,3-dichloro- and 2,3-dibromopropionic acid and the corresponding nitriles with tertiary aliphatic amines gave dehydrohalogenation products and amine hydrohalides. When pyridine was used, 1-vinylpyridinium halides were obtained.

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Formula: C7H6ClNO. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1-(2-chloropyridine-4-yl)ethanone, is researched, Molecular C7H6ClNO, CAS is 23794-15-2, about Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38α Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3. Author is Ansideri, Francesco; Macedo, Joana T.; Eitel, Michael; El-Gokha, Ahmed; Zinad, Dhafer S.; Scarpellini, Camilla; Kudolo, Mark; Schollmeyer, Dieter; Boeckler, Frank M.; Blaum, Baerbel S.; Laufer, Stefan A.; Koch, Pierre.

Starting from known p38α mitogen-activated protein kinase (MAPK) inhibitors, a series of inhibitors of the c-Jun N-terminal kinase (JNK) 3 was obtained. Altering the substitution pattern of the pyridinylimidazole scaffold proved to be effective in shifting the inhibitory activity from the original target p38α MAPK to the closely related JNK3. In particular, a significant improvement for JNK3 selectivity could be achieved by addressing the hydrophobic region I with a small Me group. Furthermore, addnl. structural modifications permitted to explore structure-activity relationships. The most potent inhibitor 4-(4-methyl-2-(methylthio)-1H-imidazol-5-yl)-N-(4-morpholinophenyl)pyridin-2-amine showed an IC50 value for the JNK3 in the low triple digit nanomolar range and its binding mode was confirmed by x-ray crystallog.

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2,3-Dibromopropionic acid, is researched, Molecular C3H4Br2O2, CAS is 600-05-5, about Dissociation of halogen-substituted propionic acids in water-acetonitrile solvent mixtures. Substituent effects.Name: 2,3-Dibromopropionic acid.

The pK values of AcOH, EtCO2H and halogen-substituted EtCO2H in H2O/MeCN mixtures were determined at 25° by potentiometric titration The values for α-Cl-, β-Cl-, α-Br-, β-Br-, β-I-, α,α-di-Cl-, α,β-di-Cl-, α,β-di-Br-propionic acid, AcOH and EtCO2H in aqueous mixtures containing 0, 20, 40, 60 and 80 weight% MeCN are reported. The substituent effects on acidity are discussed.

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Synthesis, anticonvulsant activity and QSAR studies of some new pyrazolyl pyridines, published in 2016-08-31, which mentions a compound: 23794-15-2, mainly applied to anticonvulsant epilepsy QSAR pyrazole pyridine, Safety of 1-(2-chloropyridine-4-yl)ethanone.

Twenty-one new 3,5-bipyridinyl-1H-pyrazole derivatives (pyrazolyl pyridines) have been synthesized and evaluated for their anticonvulsant activity in animal models of epilepsy. The pyrazolyl pyridines I [R1 = H, Cl, Ph, etc.; R2 = H, Cl, Ph, etc.] were obtained through a general one-pot synthesis, from ketones and acid chlorides via formation of 1,3-diketones in situ carried out in hydrocarbon solvent and LiHMDS base. The profile of anticonvulsant activity of final compounds was established in the maximal electroshock (MES) and s.c. pentylenetetrazole (s.c. PTZ) tests, after i.p. injection in rats and mice, resp., at doses of 30, 100, and 300 mg/kg. An observation was carried out at two different time intervals-0.5 and 4 h. Phenytoin was used as a standard antiepileptic against MES convulsions and valproic acid against s.c. PTZ convulsions. Furthermore, in addition to the primary anticonvulsant screening, the acute neurol. toxicity was determined in mice by the rotarod test and in rats by positional sense test. The compounds showed anticonvulsant activity exclusively against MES convulsions. The compounds were found especially active in 100 mg/kg dose at both the time points, i.e., 0.5 and 4 h, depending upon the lipophilicity of mols. as indicated by statistically significant reduction in the time spent in tonic extension phase (p < 0.001). Further, the newly synthesized compounds were subjected to two-dimensional quant. structure-activity relationship (2D QSAR) anal. through multiple linear regression, principal component regression, and partial least square regression anal., and three-dimensional quant. structure-activity relationship (3D QSAR) anal. by k-nearest neighbor mol. field anal. in conjunction with stepwise forward-backward, genetic algorithm, and simulated annealing variable selection methods using the software VLife MDS. The structure-activity relationship (SAR) as well as quant. structure-activity relationship (QSAR) studies for anticonvulsant activity confirmed the crucial role of 3,5-bipyridinyl-1H-pyrazole core fragment for anticonvulsant activity. As far as I know, this compound(23794-15-2)Safety of 1-(2-chloropyridine-4-yl)ethanone can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.

Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Esters of α, β-dibromopropionic acid, published in 1945, which mentions a compound: 600-05-5, Name is 2,3-Dibromopropionic acid, Molecular C3H4Br2O2, SDS of cas: 600-05-5.

The following esters of α, β-dibromopropionic acid were prepared in 60-5% yields by treating mixtures of the acid with the appropriate alc. and HCl with ice-cooling, followed by standing at room temperature, separation, and washing with water (b60-5, b., d420, nD20 given): Me 129-30°, 203-5°, 1.9333, 1.5127; Et 137-8°, 214-16°, 1.7966, 1.5007; Pr 149-50°, 221-4°, 1.6799, 1.4950; iso-Pr 143-6°, 210-14°, 1.6459, 1.4903; Bu 163-4°, 236-9°, 1.6107, 1.4890; iso-Bu 155-6°, 230-2°, 1.5783, 1.4882; iso-Am 165-9°, 240-4°, 1.5149, 1.4871; allyl 148-50°, 218-21°, 1.7412, 1.5126.

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Reference:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem