Tag: M.W:100-200

SDS of cas: 114834-02-5. 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-Chloro-6-(1H-imidazol-1-yl)pyrimidine, is researched, Molecular C7H5ClN4, CAS is 114834-02-5, about An electrochemical synthesis of functionalized arylpyrimidines from 4-amino-6-chloropyrimidines and aryl halides. Author is Sengmany, Stephane; Le Gall, Erwan; Leonel, Eric.

A range of novel 4-amino-6-arylpyrimidines was prepared under mild conditions by an electrochem. reductive cross-coupling between 4-amino-6-chloro-pyrimidines and functionalized aryl halides. The process, which employed a sacrificial iron anode in conjunction with a nickel(II) catalyst, allows the formation of coupling products in moderate to high yields.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Mechanism of aromatic side-chain reactions with special reference to the polar effects of substituents. IV. The mechanism of quaternary salt formation》. Authors are Baker, John W.; Nathan, Wilfred S..The article about the compound:1-(Bromomethyl)-4-ethylbenzenecas:57825-30-6,SMILESS:CCC1=CC=C(CBr)C=C1).Category: quinoxaline. Through the article, more information about this compound (cas:57825-30-6) is conveyed.

cf. C. A. 29, 4657.5. The following data are given for the reaction of RC6H4CH2Br with C5H5N in dry Me2CO at the temperatures given, where R is: p-Me, 20°, 2.020 (kp × 104, g.-mol./l./sec.); 40°, 7.983; p-Et, 20°, 1.811; 30°, 3.517; 40°, 6.733; p-iso-Pr, 20°, 1.633; 40°, 6.500; p-tert-Bu, 20°, 1.652; 30°, 3.357; 40°, 6.467; 2,4-Me2, 20°, 6.287; 30°, 12.48; 40°, 24.05; 2,4-(NO2)2, 20°, 2.288; 30°, 4.700; 40°, 8.960. The results show that the small retarding effect of a p-NO2 group is replaced by an accelerating effect when a 2nd NO2 group is introduced into the 2-position. In a series of substituents arranged in order of decreasing +I or increasing -I effects, a min. velocity is found with the p-NO2 compound: 2,4-Me2 > (p-tert-Bu < p-iso-Pr < p-Et < p-Me) > H > p-NO2 ≪ 2,4-(NO2)2. The position of the 2,4-(NO2)2 group illustrates a new phenomenon, viz., the occurrence of a min. velocity in a graded polar series without change in reaction kinetics. The interaction of the 2,4-dinitrobenzyl bromide with C5H5N is strictly bimol., the velocity coefficient in Me2CO at 40° being independent of the concentration The accelerating effect of the 2,4-(NO2)2 groups observed in dry Me2CO is almost absent in aqueous 90% Me2CO and becomes a retarding effect in aqueous 90% EtOH. The results thus far show (1) the reaction between benzyl halides and tert-bases in non-aqueous media is strictly bimol. and involves a simultaneous addition and dissociation; the Arrhenius energy of activation E is, within exptl. error, unaffected by substituents and is closely related to the energy changes involved in the electron cycle as a whole; the velocity of the reaction, as affected by substituent groups in the aryl bromide, is determined mainly by some factor which is incorporated in the term P of the equation kp = PZe-E/RT; electron accession toward the side chain (+I effect) increases the reaction velocity; up to a point (at p-NO2), decrease of electron availability in the side chain decreases the velocity, but greater electron recession (in 2,4-(NO2)2) from the side chain to the nucleus reverses this effect and greatly increases the velocity. 2,4-Dinitrobenzylpyridinium bromide, m. 196° (decomposition). p-Ethylbenzyl bromide, b0.8 84°, m. 14.5-5.2°, from the chloride and NaBr in 90% aqueous Me2CO; iso-Pr homolog, b0.4 75°; tert-Bu homolog, b0.3 99°, m. 15.1°; 2,4-dimethylbenzyl bromide, b1.2 79°, m. 15°.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Tracer studies on the extraction of metal ions. III. Extraction of manganese(II), iron(III), cobalt(II), copper(II), and zinc(II) with 8-hydroxyquinoline N-oxide》. Authors are Mikulski, J..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Application of 1127-45-3. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

8-Hydroxyquinoline N-oxide extract less Mn(II), Fe(III), and Co(II) than does 8-hydroxyquinoline, and the extraction takes place in a lower pH range. Zn was not extracted at all. The tracers were 54Mn, 59Fe, 60Co, 64Cu, and 65Zn. Cf. CA 60, 11569a.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Novel spiroborates and a dipole moment study of 1,3,2 dioxaboraazulene-2-spiro-2′-(1′,3′,2′-benzodioxaborole)》. Authors are Balaban, A. T.; Bally, Ioana; Bishop, R. J.; Rentea, C. N.; Sutton, L. E..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Product Details of 1127-45-3. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

The large dipole moment (8.24 D.) of 5(7)-methyl-1,3,2-dioxaboraazulene-2-spiro-2′-(1′,3′,2′-benzodioxaborole) (I) confirms the spiran co-ordinated structure previously suggested. Stable spiroborates are formed from butoxy-benzodioxaborole with 8-hydroxyquinoline or its N-oxide, but not with 3-hydroxy-γ-pyrone.

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Name: (4-(Pyridin-4-yl)phenyl)methanol. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (4-(Pyridin-4-yl)phenyl)methanol, is researched, Molecular C12H11NO, CAS is 217192-22-8, about Colour coding the co-conformations of a [2]rotaxane flip-switch. Author is Suhan, Natalie D.; Allen, Laura; Gharib, Mireille T.; Viljoen, Elizabeth; Vella, Sarah J.; Loeb, Stephen J..

Fine-tuning the charge transfer chromophores in a series of [2]rotaxane flip-switches yields a unique optical signal (purple color) for one of the interactions allowing for facile determination of the position of the flip-switch equilibrium

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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, Bioorganic & Medicinal Chemistry Letters called Discovery of liver-targeted inhibitors of stearoyl-CoA desaturase (SCD1), Author is Deng, Yongqi; Yang, Zhiwei; Shipps, Gerald W.; Lo, Sie-Mun; West, Robert; Hwa, Joyce; Zheng, Shuqin; Farley, Constance; Lachowicz, Jean; van Heek, Margaret; Bass, Alan S.; Sinha, Dinesh P.; Mahon, Craig R.; Cartwright, Mark E., which mentions a compound: 57825-30-6, SMILESS is CCC1=CC=C(CBr)C=C1, Molecular C9H11Br, Related Products of 57825-30-6.

Inhibitors based on a benzo-fused spirocyclic oxazepine scaffold were discovered for stearoyl-CoA (CoA) desaturase 1 (SCD1) and subsequently optimized to potent compounds with favorable pharmacokinetic profiles and in vivo efficacy in reducing the desaturation index in a mouse model. Initial optimization revealed potency preferences for the oxazepine core and benzylic positions, while substituents on the piperidine portions were more tolerant and allowed for tuning of potency and PK properties. After preparation and testing of a range of functional groups on the piperidine nitrogen, three classes of analogs were identified with single digit nanomolar potency: glycine amides, heterocycle-linked amides, and thiazoles. Responding to concerns about target localization and potential mechanism-based side effects, an initial effort was also made to improve liver concentration in an available rat PK model. An advanced compound 17m with a 5-carboxy-2-thiazole substructure appended to the spirocyclic piperidine scaffold was developed which satisfied the in vitro and in vivo requirements for more detailed studies.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Molecular Basis for the Stereoselective Ammonolysis of N-Alkyl Aziridine-2-Carboxylates Catalyzed by Candida antarctica Lipase B》. Authors are Park, Jae-Hoon; Ha, Hyun-Joon; Lee, Won Koo; Genereux-Vincent, Tobie; Kazlauskas, Romas J..The article about the compound:(S)-Propane-1,2-diamine dihydrochloridecas:19777-66-3,SMILESS:C[C@H](N)CN.[H]Cl.[H]Cl).Reference of (S)-Propane-1,2-diamine dihydrochloride. Through the article, more information about this compound (cas:19777-66-3) is conveyed.

Candida antarctica lipase B was used to catalyzed a stereoselective ammonolysis of N-(alkyl)aziridine-2-carboxylates in tert-butanol with ammonia and yielded (2S)-2-aziridinecarboxamide and remaining (2R)-2-aziridinecarboxylic acid ester. Varying the N-1 substituent on the aziridine ring changed the rate and stereoselectivity of the reaction. Substrates with a benzyl substituent or a (1R)-1-phenylethyl substituent reacted approx. ten times faster than substrates with a (1S)-1-phenylethyl substituent. Substrates with a benzyl substituent showed little stereoselectivity (E = 5-7) while substrates with either a (1R)-1-phenylethyl or (1S)-1-phenylethyl substituent showed high stereoselectivity (D > 50). Mol. modeling by using the current paradigm for enantioselectivity-binding of the slow enantiomer by an exchange-of-substituents orientation-could not account for the exptl. results. However, modeling an umbrella-like-inversion orientation for the slow enantiomer could account for the exptl. results. Steric hindrance between a Me group in the (1S)-1-phenylethyl substituent and Thr138 and Ile189 in the acyl-binding site likely accounts for the slow reaction. Enantioselectivity likely stems from an unfavorable interaction of the methine hydrogen with Thr40 for the slow enantiomer and from subtle differences in the orientations of the other three substituents. This success in rationalizing the enantioselectivity supports the notion that an umbrella-like-inversion orientation can contribute to enantioselectivity in lipases.

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HPLC of Formula: 57825-30-6. 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: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Direct conversion of alkyl halides into benzimidazoles using pyridine-N-oxide and 1,2-diaminobenzenes. Author is Bratulescu, George.

Benzimidazole heterocycles I [R1 = C6H5, 4-CH3CH2C6H4, 4-FC6H4, 1H-pyrrol-2-yl, etc.; R2 = H, 5-OCH3, 5-CH3] were obtained from halogenated compounds R1CH2Br and aromatic 1,2-diamines such as o-phenylenediamine, 4-methyl-1,2-benzenediamine, 4-methoxy-1,2-benzenediamine. A mild oxidizing reagent such as pyridine N-oxide is required to produce the benzimidazole core I. The method is solvent-free and provides products without the need for chromatog. Good yields, moderate reaction temperature, and fast reaction rates are important advantages of this procedure.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Oxine N-oxide as an analytical reagent for the colorimetric estimation of Ce(IV) and its comparison with 8-quinolinol as a chelating agent》. Authors are Bhat, A. N.; Jain, B. D..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Safety of 8-Hydroxyquinoline 1-oxide. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

Aqueous solutions of Ce(IV) salts form stable brownish red H2O-soluble complexes when combined with alc. oxine N-oxide. The absorption is measured at 420 mμ, and Beer’s law is obeyed to 9.0 p.p.m. Ce. Th, U, and F- interfere and must be removed.

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Name: 1-(Bromomethyl)-4-ethylbenzene. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Structurally Simple Inhibitors of Lanosterol 14α-Demethylase Are Efficacious In a Rodent Model of Acute Chagas Disease. Author is Suryadevara, Praveen Kumar; Olepu, Srinivas; Lockman, Jeffrey W.; Ohkanda, Junko; Karimi, Mandana; Verlinde, Christophe L. M. J.; Kraus, James M.; Schoepe, Jan; Van Voorhis, Wesley C.; Hamilton, Andrew D.; Buckner, Frederick S.; Gelb, Michael H..

We report structure-activity studies of a large number of dialkyl imidazoles as inhibitors of Trypanosoma cruzi lanosterol-14α-demethylase (L14DM). The compounds have a simple structure compared to posaconazole, another L14DM inhibitor that is an anti-Chagas drug candidate. Several compounds display potency for killing T. cruzi amastigotes in vitro with values of EC50 in the 0.4-10 nM range. Two compounds were selected for efficacy studies in a mouse model of acute Chagas disease. At oral doses of 20-50 mg/kg given after establishment of parasite infection, the compounds reduced parasitemia in the blood to undetectable levels, and anal. of remaining parasites by PCR revealed a lack of parasites in the majority of animals. These dialkyl imidazoles are substantially less expensive to produce than posaconazole and are appropriate for further development toward an anti-Chagas disease clin. candidate.

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