Tag: M.W=100-200

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 7661-33-8, is researched, Molecular C10H10ClNO, about Synthesis of haptens and potential radioligands and development of antibodies to insect growth regulators diflubenzuron and BAY SIR 8514, the main research direction is immunochem analysis diflubenzuron BAYSIR8514; hapten radioligand insect growth regulator.HPLC of Formula: 7661-33-8.

A variety of synthetic approaches were undertaken, leading to potential haptens and radioligands for the benzoylphenylurea insect growth regulators diflubenzuron  [35367-38-5] and BAY SIR 8514  [64628-44-0]. One successful approach involved derivatization of the aniline N by Et 4-bromobutyrate followed by reaction with an appropriate isocyanate and cleavage of the Et ester to yield a free carboxypropyl “”handle””. Useful haptens were also synthesized by using a 3′-phenolic metabolite of diflubenzuron as well as acetate and amine functionalities in the 4′ position while the N-sulfenyl bond proved too unstable for use as an antigen. With the exception of the sulfenylated derivatives, the haptens lacked significant bol. activity on 3 insect species. Following protein coupling by the active ester or water-soluble diimide method, antibodies were raised to 2 diflubenzuron haptens in each of 7 rabbits immunized as demonstrated by radioimmunoassay using [14C]diflubenzuron, Ouchterlony gel diffusion, and immunoelectrophoresis.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(2-Methylthiazol-4-yl)ethanone(SMILESS: CC(C1=CSC(C)=N1)=O,cas:23002-78-0) is researched.COA of Formula: C8H12Cl2Pt. The article 《Heterocycles from amino ketones. XIV. Thiazolyl- and pyrrolylquinolines》 in relation to this compound, is published in Zeitschrift fuer Chemie. Let’s take a look at the latest research on this compound (cas:23002-78-0).

2-(R-Substituted)-4-(R1-substituted)-quinolines (I) [where R = 2-methylthiazol-4-yl (II), 2-phenylthiazol-4-yl, 2,4-dimethylthiazol-5-yl, 2-phenyl-4-methylthiazol-5-yl, 2-amino-4-methylthiazol-5-yl, or 2-pyrryl (III); and R1 = Me or Ph] were prepared by the method of K. et al. (1964). I showed pronounced fluorescence and were tested as fluorescence indicators. Reaction of MeCSNH2 with BrCH2COC(NOH)Me gave 2-methyl-4-acetylthiazole-3-oxime, which was saponified to 2-methyl-4-acetylthiazole.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Pyridine-3,5-dicarbonitrile(SMILESS: N#CC1=CC(C#N)=CN=C1,cas:1195-58-0) is researched.Reference of Ethyl oxazole-5-carboxylate. The article 《Alkylation of pyridine-3,5-dicarboxamide and pyridine-3,5-dicarbonitriles by radical substitution》 in relation to this compound, is published in Journal of Heterocyclic Chemistry. Let’s take a look at the latest research on this compound (cas:1195-58-0).

Structural modification of NAD(P) model compounds, N,N,N’,N’-tetramethylpyridine-3,5-dicarboxamide (1), pyridine-3,5-dicarbonitrile (2), and 4-methylpyridine-3,5-dicarbonitrile (3), have been explored by the reaction with alkyl radicals such as the 1-adamantyl, tert-Bu, and iso-Pr radicals. The alkyl substitutions of compounds 1, 2, and 3 with the 1-adamantyl and the tert-Bu radical gave both 2-mono and 2,6-disubstitution products, whereas the reaction of compound 2 with the iso-Pr radical gave 2-mono- I, 2,4-di-, 2,6-di-, and 2,4,6-trisubstitution products.

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SDS of cas: 7661-33-8. 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: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Iridium(III)-catalyzed regioselective direct arylation of sp2 C-H bonds with diaryliodonium salts. Author is Gao, Pan; Liu, Li; Shi, Zhuangzhi; Yuan, Yu.

A regioselective direct arylation of arenes and olefins with aryliodonium salts at the ortho position to provide biaryl compounds, e.g., I was reported. The key to the high selectivity was the appropriate choice of aryliodonium salts as the arylating reagent in presence of a cationic iridium(III) catalyst. The coordination of the metal with an oxygen atom or a nitrogen atom and subsequent C-H activation allowed for direct arylation with coupling partners. This reaction proceeded under mild reaction conditions and with a high tolerance of various functional groups including many halide functional groups.

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Category: alcohols-buliding-blocks. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about HMO [Hueckel molecular orbital] calculation and the reactivity of quinolinecarbonitriles and isoquinolinecarbonitriles with nucleophilic reagents.

Simple Hueckel MO calculations were carried out to explain the fact that the Grignard reagents attack the CN group of 2- and 4-quinolinecarbonitriles and 1- and 3-isoquinolinecarbonitriles, whereas the ring is attacked in the case of 3-quinolinecarbonitrile and 4-isoquinolinecarbonitrile. These facts could be explained by the reactivity indexes obtained with the following parameters: α + 0.5β for the Coulomg integral of N in the ring, α + 1.1β for the Coulomb integral of N of the cyano group, and 1.4β for resonance integral of the cyano group. The νCN absorption could be correlated with the π-bond order of the cyano group and the chem. shifts of H with the π-electron density (qr) by the equation: δ = 19.64 – 12.20qr. 1-Propionylisoquinoline, b5 125°, was prepared

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Electric Literature of C10H10ClNO. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the ring contraction and deformylative functionalization of piperidine derivatives. Author is Wang, Fang; Zhang, Xinying; He, Yan; Fan, Xuesen.

In this paper, a selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the cascade reactions of N-substituted piperidines is presented [e.g., N-phenylpiperidine → N-phenyl-2-pyrrolidinone (58%) in presence of Cu(OAc)2/KI/Oxone/O2 in MeCN and N-phenylpiperidine → 3-iodo-N-phenylpyrrole (65%) in presence of Cu(OAc)2/I2/DMAP/O2 in MeCN]. Mechanistically, the formation of pyrrolidin-2-ones involves a domino process including the in situ formation of pyrrolidine-2-carbaldehyde followed by carboxylic acid formation, decarboxylation and ipso-oxidation On the other hand, 3-iodopyrroles are believed to be formed via the initial generation of pyrrolidine-2-carbaldehyde followed by carboxylic acid formation, decarboxylation, dehydrogenation, iodination and aromatization. Interestingly, either pyrrolidin-2-ones or 3-iodopyrroles could be obtained selectively from the same substrates, and the selectivity was easily tuned by using a specific oxidant and additive.

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Wie, Siong I.; Sylwester, Alan P.; Wing, Keith D.; Hammock, Bruce D. published the article 《Synthesis of haptens and potential radioligands and development of antibodies to insect growth regulators diflubenzuron and BAY SIR 8514》. Keywords: immunochem analysis diflubenzuron BAYSIR8514; hapten radioligand insect growth regulator.They researched the compound: 1-(4-Chlorophenyl)pyrrolidin-2-one( cas:7661-33-8 ).HPLC of Formula: 7661-33-8. 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:7661-33-8) here.

A variety of synthetic approaches were undertaken, leading to potential haptens and radioligands for the benzoylphenylurea insect growth regulators diflubenzuron  [35367-38-5] and BAY SIR 8514  [64628-44-0]. One successful approach involved derivatization of the aniline N by Et 4-bromobutyrate followed by reaction with an appropriate isocyanate and cleavage of the Et ester to yield a free carboxypropyl “”handle””. Useful haptens were also synthesized by using a 3′-phenolic metabolite of diflubenzuron as well as acetate and amine functionalities in the 4′ position while the N-sulfenyl bond proved too unstable for use as an antigen. With the exception of the sulfenylated derivatives, the haptens lacked significant bol. activity on 3 insect species. Following protein coupling by the active ester or water-soluble diimide method, antibodies were raised to 2 diflubenzuron haptens in each of 7 rabbits immunized as demonstrated by radioimmunoassay using [14C]diflubenzuron, Ouchterlony gel diffusion, and immunoelectrophoresis.

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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 Dihydropyridines. XVII. π-Electronic structure and reactivity of alkyl 3,5-dicyanopyridines, published in 1969, which mentions a compound: 1195-58-0, Name is Pyridine-3,5-dicarbonitrile, Molecular C7H3N3, Safety of Pyridine-3,5-dicarbonitrile.

The π-electronic structure of alkyl 3,5-dicyanopyridines was studied by the Hueckel M.O. L.C.A.O. method. The heteroatom model was used in the calculations The exptl. course of nucleophilic reactions was in agreement with the calculated superdelocalizabilities. Some of the exptl. excitation energies depended linearly on the calculated transition energies. Correlation was found between the values of proton shifts in the N.M.R. spectra of dicyanopyridines and the corresponding electron densities.

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Feng, Kaibo; Quevedo, Raundi E.; Kohrt, Jeffrey T.; Oderinde, Martins S.; Reilly, Usa; White, M. Christina published an article about the compound: 1-(4-Chlorophenyl)pyrrolidin-2-one( cas:7661-33-8,SMILESS:O=C1N(C2=CC=C(Cl)C=C2)CCC1 ).Electric Literature of C10H10ClNO. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:7661-33-8) through the article.

Frequently referred to as the ‘magic Me effect’, the installation of Me groups-especially adjacent (α) to heteroatoms-has been shown to dramatically increase the potency of biol. active mols.1-3. However, existing methylation methods show limited scope and have not been demonstrated in complex settings1. Here, we report a regioselective and chemoselective oxidative C(sp3)-H methylation method that is compatible with late-stage functionalization of drug scaffolds and natural products. This combines a highly site-selective and chemoselective C-H hydroxylation with a mild, functional-group-tolerant methylation. Using a small-mol. manganese catalyst, Mn(CF3PDP), at low loading (at a substrate/catalyst ratio of 200) affords targeted C-H hydroxylation on heterocyclic cores, while preserving electron-neutral and electron-rich aryls. Fluorine- or Lewis-acid-assisted formation of reactive iminium or oxonium intermediates enables the use of a mildly nucleophilic organoaluminum methylating reagent that preserves other electrophilic functionalities on the substrate. We show this late-stage C(sp3)-H methylation on 41 substrates housing 16 different medicinally important cores that include electron-rich aryls, heterocycles, carbonyls and amines. Eighteen pharmacol. relevant mols. with competing sites, including drugs (for example, tedizolid) and natural products, are methylated site-selectively at the most electron rich, least sterically hindered position. We demonstrate the syntheses of two magic Me substrates, an inverse agonist for the nuclear receptor RORc and an antagonist of the sphingosine-1-phosphate receptor-1, via late-stage methylation from the drug or its advanced precursor. We also show a remote methylation of the B-ring carbocycle of an abiraterone analog. The ability to methylate such complex mols. at late stages will reduce synthetic effort and thereby expedite broader exploration of the magic Me effect in pursuit of new small-mol. therapeutics and chem. probes.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Donnier-Marechal, Marion; Carato, Pascal; Larchanche, Paul-Emmanuel; Ravez, Severine; Boulahjar, Rajaa; Barczyk, Amelie; Oxombre, Benedicte; Vermersch, Patrick; Melnyk, Patricia researched the compound: 1-(4-Chlorophenyl)pyrrolidin-2-one( cas:7661-33-8 ).Quality Control of 1-(4-Chlorophenyl)pyrrolidin-2-one.They published the article 《Synthesis and pharmacological evaluation of benzamide derivatives as potent and selective sigma-1 protein ligands》 about this compound( cas:7661-33-8 ) in European Journal of Medicinal Chemistry. Keywords: aminoalkyl benzamide preparation sigma protein cytotoxicity human docking SAR; benzyl methyl propanamine preparation sigma protein safety human SAR; Benzamide; CNS; Sigma protein. We’ll tell you more about this compound (cas:7661-33-8).

A series of novel N-(aminoalkyl)benzamide derivatives such as I [m = 2, 3; R1 = Me; R2 = Bn, (CH2)2C6H4; R1R2 = (CH2)4, (CH2)2O(CH2)2, (CH2)2NMe(CH2)2, etc.; R3 = H, 4-n-Bu, 4-Cl, etc.] and N-benzyl-N-methyl-propan-1-amine derivatives II [X = CH2NH, SO2NH, NHC(O)] was designed, synthesized and pharmacol. evaluated. In vitro competition binding assays against sigma proteins (sigma-1 S1R and sigma-2 S2R) revealed that most of them conferred S2R/S1R selectivity toward without cytotoxic effects on SY5Y cells, especially with compounds I [m = 2, 3; R1 = Me; R2 = Bn]. Some selected compounds were also evaluated for their agonist and antagonist activities on a panel of 40 receptors and results showed the importance of the nature and the position with halogeno atom on the benzamide scaffold, the length chain and also the contribution of the hydrophobic part on the amine group. Among them, compounds I [m = 2, 3; R1 = Me; R2 = Bn; R3 = 4-Cl, 4-CN, 4-NO2] showed excellent affinity for S1R (Ki = 1.2-3.6 nM), selectivity for S2R (Ki up to 1400 nM) and high selectivity index (IC50(SY5Y)/Ki(S1R) ratio from 28/000 to 83/000). Furthermore, these compounds I and II presented an excellent safety profile over 40 other receptors.

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