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Recommanded Product: 3-Hydroxy-3-phenylpropanenitrile. 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: 3-Hydroxy-3-phenylpropanenitrile, is researched, Molecular C9H9NO, CAS is 17190-29-3, about Catalytic reduction of the nitriles of β,β-pentamethyleneglycidic, trans-β-phenylglycidic, and β-methyl-β-phenylglycidic acids on Raney nickel. Author is Martynov, V. F.; Shchelkunov, A. V..

The title nitriles I, II, and III treated with H2O2 in alk. aqueous-alc. media give the corresponding amides (IV), hydrogenated on usual-activity Raney Ni (prepared without use of pressure) give the corresponding hydroxy compounds RR1C(OH)CH2CN (V), and hydrogenated on high-activity Raney Ni (prepared under pressure) give the corresponding hydroxy amino compounds RR1C(OH)CH2CH2NH2 (VI). A mixture of 0.47 g I, 5 ml EtOH, 5 ml 2N NaOH, and 1 ml 30% H2O2 heated at 60-70° (until the evolution of O ceased) gave 0.34 g IV [(R r1 =) pentamethylene]. Similarly, 0.4 g II, 8 ml EtOH, 5 ml 2N NaOH, and 2.5 ml 30% H2 o2 gave 0.26 g IV (R = H, R1 = Ph), and 0.75 g III, 15 ml EtOH , 6 ml 2N NaOH, and 3 ml 30% H2O2 gave 0.41 g IV (R = Me, R1 = Ph). I (3.14 g) hydrogenated on 0.43 g of a com. high-activity Raney Ni catalyst in 25 ml 96% EtOH at 23°/761.8 mm 7 hr (1598 ml H absorbed), 2.8 g Ac2O added to the filtrate remaining on catalyst removal, and the mixt . stirred until the heat evolution ceased gave 1.55 g VI [(RR1 =)-pentamethylene] N-monacetyl derivative (cf. Stork, CA 55:2594h). I (2.6 g) hydrogenated on 0.31 g usual-activity Raney Ni catalyst in 20 ml 96% EtOH at 18°/758.4 mm 3 hr (443 ml H absorbed) gave 1.77 g V [(RR1 =) pentamethylene] (VII), b4 113-14°. VII treated with H2O2 as above gave VIIa. II (4.35 g) hydrogenated on 0.43 g usual-activity Raney Ni catalyst i n 15 ml 96% EtOH at 16°/759.3 mm 3 hr (693 ml H absorbed), and the mix t. treated as above gave 2.65 g V (R = H, R1 = Ph) (VIII). VIII treated with H2O2 gave PhCH(OH)CH2CONH2. III (2.73 g) hydrogenated on 0.33 g usual-activity Raney Ni catalyst in 15 ml 96% EtOH at 18°/769.2 mm 2.5 hr (388 ml H absorbed), and treated in alkali with 30% H2O2 yielded 2.26 g MeCPh(OH)CH2CONH2.

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Quality Control of 3-Hydroxy-3-phenylpropanenitrile. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Hydroxy-3-phenylpropanenitrile, is researched, Molecular C9H9NO, CAS is 17190-29-3, about Theoretical Investigation into the Mechanism of Cyanomethylation of Aldehydes Catalyzed by a Nickel Pincer Complex in the Absence of Base Additives. Author is Ariafard, Alireza; Ghari, Hossein; Khaledi, Yousef; Hossein Bagi, Amin; Wierenga, Tanita S.; Gardiner, Michael G.; Canty, Allan J..

D. functional theory was used to study the reaction mechanism of cyanomethylation of aldehydes catalyzed by nickel pincer complexes under base-free conditions. The C-bound cyanomethyl complex, which was initially thought to be the active catalyst, is actually a precatalyst, and in order for the catalytic reaction to commence, it has to convert to the less-stable N-bound isomer. The carbon-carbon bond formation then proceeds via direct coupling of the N-bound isomer and the aldehyde to give a zwitterionic intermediate with a pendant alkoxide function, which is further stabilized by hydrogen-bonding interaction with water mols. (or alc. product). The N-bound alkoxide group of the zwitterionic intermediate is subsequently substituted by MeCN via an associative mechanism, followed by deprotonation of the coordinated MeCN to afford the final product. It was found that the transition structure for the exchange reaction (substitution of MeCN for the alkoxide group) is the highest energy point on the catalytic cycle, and its energy crucially influences the catalyst efficiency. The Ni complexes ligated by bulky and weak trans-influencing pincer ligands are not appropriate catalysts for the cyanomethylation reaction due to the involvement of very-high-energy transition structures for the exchange reaction. In contrast, benzaldehydes with electron-withdrawing substituents are capable of stabilizing the exchange reaction transition structure due to the increased stability of the zwitterionic intermediate, leading to acceleration of the catalytic reaction.

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Takahashi, Kazumasa; Sasaki, Kazushige; Tanabe, Hiroaki; Yamada, Kazutoshi; Iida, Hirotada published an article about the compound: 3-Hydroxy-3-phenylpropanenitrile( cas:17190-29-3,SMILESS:N#CCC(O)C1=CC=CC=C1 ).Recommanded Product: 3-Hydroxy-3-phenylpropanenitrile. 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:17190-29-3) through the article.

The reaction of MeCN with p-anisaldehyde was studied in detail. In EtOH no reaction occurred, but in DMF, (Me2N)3PO or THF the reaction rapidly proceeded to give 2-cyano-1-(4-methoxyphenyl)-1-hydroxyethane (I) and 4-methoxycinnamonitrile (II) with total yield of 87 ∼ 95%. The yields of I and II were influenced by the reaction temperature and solvent. Prolonged treatment of MeCN with RC6H4CHO(R = H, p-MeO, p-Me2N), 2,4-(MeO)2-C6H3CHO or 3,4-(methylenedioxy)benzaldehyde under similar conditions gave β-hydroxy-β-phenylpropionitrile derivatives or cinnamonitrile derivatives Their yields were influenced by the substituents.

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Itoh, Toshiyuki; Takagi, Yumiko; Nishiyama, Shigenori published the article 《Enhanced enantioselectivity of an enzymatic reaction by the sulfur functional group. A simple preparation of optically active β-hydroxy nitriles using a lipase》. Keywords: methylthioacetoxybutyronitrile kinetic resolution lipase; nitrile beta hydroxy optically active.They researched the compound: 3-Hydroxy-3-phenylpropanenitrile( cas:17190-29-3 ).Computed Properties of C9H9NO. 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:17190-29-3) here.

The enantioselectivity of a lipase-catalyzed hydrolysis was improved by varying the acyl residue into the sulfur functional one, i.e. the β-(phenylthio)- or β-(methylthio)acetoxy group, from acetate or valerate to realize satisfactory resolution of β-hydroxy nitriles using lipase P (Pseudomons sp.).

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HPLC of Formula: 17190-29-3. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Hydroxy-3-phenylpropanenitrile, is researched, Molecular C9H9NO, CAS is 17190-29-3, about Glucosinolate turnover in Brassicales species to an oxazolidin-2-one, formed via the 2-thione and without formation of thioamide. Author is Agerbirk, Niels; Matthes, Annemarie; Erthmann, Pernille Oe.; Ugolini, Luisa; Cinti, Susanna; Lazaridi, Eleni; Nuzillard, Jean-Marc; Muller, Caroline; Bak, Soeren; Rollin, Patrick; Lazzeri, Luca.

Glucosinolates are found in plants of the order Brassicales and hydrolyzed to different breakdown products, particularly after tissue damage. In Barbarea vulgaris R.Br. (Brassicaceae), the dominant glucosinolate in the investigated “”G-type”” is glucobarbarin [(S)-2-hydroxy-2-phenylethylglucosinolate]. The formation of the nitrile from glucobarbarin was observed in vitro, while a previously suggested thioamide (synonym thionamide) was not confirmed. Resedine (5-phenyl-1,3-oxazolidin-2-one) was detected after glucobarbarin hydrolysis in crushed B. vulgaris leaves and siliques, but not in intact parts. The abundance increased for several hours after completion of hydrolysis. The corresponding 1,3-oxazolidine-2-thione (OAT), with the common name barbarin, was also formed, and appeared to be the precursor of resedine. The addition of each of 2 non-endogenous OATs, (S)-5-ethyl-5-methylOAT and (R)-5-vinylOAT (R-goitrin), to a leaf homogenate resulted in formation of the corresponding 1,3-oxazolidin-2-ones (OAOs), confirming the metabolic connection of OAT to OAO. The formation of OAOs was inhibited by prior brief heating of the homogenate, suggesting enzymic involvement. We suggest the conversion of OATs to OAOs to be catalyzed by an enzyme (“”oxazolidinethionase””) responsible for turnover of OAT formed in intact plants. Resedine had been reported as an alkaloid from another species, Reseda luteola L. (Resedaceae), which naturally contains glucobarbarin. However, resedine was not detected in intact R. luteola plants, but formed after tissue damage. The formation of resedine in 2 families suggests a broad distribution of putative OATases in the Brassicales; potentially involved in glucosinolate turnover that needs myrosinase activity as the committed step. In agreement with the proposed function of OATase, several candidate genes for myrosinases in glucosinolate turnover in intact plants were discovered in the B. vulgaris genome. We also suggest that biotechnol. conversion of OATs to OAOs might improve the nutritional value of Brassicales protein. HPLC-MS/MS methods for detection of these glucobarbarin products are described.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Hydroxy-3-phenylpropanenitrile( cas:17190-29-3 ) is researched.COA of Formula: C9H9NO.Yang, Zhiheng; Cheng, Weiyan; Li, Zeyun published the article 《Iridium catalysed highly efficient transfer hydrogenation reduction of aldehydes and ketones in water》 about this compound( cas:17190-29-3 ) in Catalysis Communications. Keywords: alc preparation; aldehyde iridium catalyst transfer hydrogenation; ketone iridium catalyst transfer hydrogenation. Let’s learn more about this compound (cas:17190-29-3).

A new transfer hydrogenation of structurally diverse aldehydes and ketones in water using formic acid as hydride donor was developed, to get the corresponding alcs. The iridium complex of 4,4′,5,5′-tetrahydro-1H,1’H-2,2′-biimidazole, was used as an efficient catalyst. The S/C ratios in aldehyde and ketone reductions were as low as 20,000 and 10,000 resp. The TOF value in aldehyde reduction was as high as 60,000 h-1. A number of functional groups such as (hetero)aryl, alkenyl, halogen, phenolic and alc. hydroxyls, trifluromethyl, cyano, nitro, ester, carboxylic acid and acidic methylenes were well tolerated.

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Electric Literature of C9H9NO. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Hydroxy-3-phenylpropanenitrile, is researched, Molecular C9H9NO, CAS is 17190-29-3, about Study of the enantioselectivity of the CAL-B-catalyzed transesterification of α-substituted α-propylmethanols and α-substituted benzyl alcohols. Author is Garcia-Urdiales, Eduardo; Rebolledo, Francisca; Gotor, Vicente.

A study of the enantioselectivity exhibited by the lipase B from Candida antarctica in the transesterification of different α-substituted α-propylmethanols with vinyl acetate is shown. The best results are obtained when the large-sized (L) substituent of the alc. is either a Ph group or more especially a cyclohexyl group, although the reaction rates are lower than when linear or slightly branched groups are present. It is also found that ramification at the β-position of the L substituent has a deleterious effect on both lipase activity and enantioselectivity. Moreover, some α-substituted benzyl alcs. bearing medium-sized (M) substituents larger than an Et and smaller than a Pr group are resolved by means of this methodol. with moderate-good enantioselectivities (E = 46-57) and similar reaction rates.

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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.Iranpoor, Nasser; Firouzabadi, Habib; Shekarize, Marzieh researched the compound: 3-Hydroxy-3-phenylpropanenitrile( cas:17190-29-3 ).Application In Synthesis of 3-Hydroxy-3-phenylpropanenitrile.They published the article 《Micellar media for the efficient ring opening of epoxides with CN-, N3-, NO3-, NO2-, SCN-, Cl- and Br- catalyzed with Ce(OTf)4》 about this compound( cas:17190-29-3 ) in Organic & Biomolecular Chemistry. Keywords: alc synthesis nucleophilic ring opening epoxide micelle surfactant; epoxide cerium triflate catalyst ring opening alc nucleophile micelle. We’ll tell you more about this compound (cas:17190-29-3).

Several β-substituted alcs. were prepared by Ce(OTf)4-catalyzed nucleophilic ring opening of epoxides with sodium salts of nucleophiles such as CN-, N3-, NO3-, NO2-, SCN-, Br- and Cl- in micellar media.

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The origin of a common compound about 22600-77-7

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Formula: C4H9Cl2N3. 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: (1H-Imidazol-2-yl)methanamine dihydrochloride, is researched, Molecular C4H9Cl2N3, CAS is 22600-77-7, about 2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships. Author is Deaton, David N.; Haffner, Curt D.; Henke, Brad R.; Jeune, Michael R.; Shearer, Barry G.; Stewart, Eugene L.; Stuart, J. Darren; Ulrich, John C..

Starting from 4-amino-8-quinoline carboxamide lead 1a and scaffold hopping to the chem. more tractable quinazoline, a systematic exploration of the 2-substituents of the quinazoline ring, utilizing structure activity relationships and conformational constraint, resulted in the identification of 39 novel CD38 inhibitors. Eight of these analogs were 10-100-fold more potent human CD38 inhibitors, including the single digit nanomolar inhibitor 1am (2-(3′-Amino-1’H-spiro[cyclopropane-1,6′-pyrrolo[3,4-c]pyrazol]-5(4H)-yl)-4-((2-fluoro-6-(trifluoromethyl)benzyl)amino)quinazoline-8-carboxamide). Several of these mols. also exhibited improved therapeutic indexes relative to hERG activity. A representative analog 1r ((R)-4-((2-fluoro-6-(trifluoromethyl)benzyl)amino)-2-(6-methylpyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)quinazoline-8-carboxamide) exhibited suitable pharmacokinetic parameters for in vivo animal studies, including moderate clearance and good oral bioavailability. These inhibitor compounds will aid in the exploration of the enzymic functions of CD38, as well as furthering the study of the therapeutic implications of NAD enhancement in metabolic disease models.

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Latouche, Regine; Texier-Boullet, Francoise; Hamelin, Jack published an article about the compound: 3-Hydroxy-3-phenylpropanenitrile( cas:17190-29-3,SMILESS:N#CCC(O)C1=CC=CC=C1 ).Application of 17190-29-3. 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:17190-29-3) through the article.

Condensation of Me3SiCH2R (R = CN, CO2Et) with BzH in the presence of dried alkali metal fluorides in heterogeneous media under microwaves leads readily to PhCH(OSiMe3)CH2R according to a Reformatskii-type reaction. The products could be hydrolyzed and dehydrated on the wet inorganic salt to give alkenes.

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