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A-(1-Methylpropyl)benzeneacetonitrile, also known as 2-(1-methylpropyl)benzeneacetonitrile or isobutyl benzyl cyanide, is an organic compound with the chemical formula C11H13N. It is a colorless liquid with a molecular weight of 159.23 g/mol. A-(1-METHYLPROPYL)BENZENEACETONITRILE is characterized by its aromatic structure, featuring a benzene ring attached to an acetonitrile group and an isobutyl side chain. It is used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its reactivity, it is important to handle A-(1-METHYLPROPYL)BENZENEACETONITRILE with care, following proper safety protocols.

5558-32-7

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5558-32-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5558-32-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,5 and 8 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 5558-32:
(6*5)+(5*5)+(4*5)+(3*8)+(2*3)+(1*2)=107
107 % 10 = 7
So 5558-32-7 is a valid CAS Registry Number.

5558-32-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methyl-2-phenyl-valeronitrile

1.2 Other means of identification

Product number -
Other names 3-methyl-2-phenylpentanenitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5558-32-7 SDS

5558-32-7Relevant academic research and scientific papers

Copper-Catalyzed Cyanation of N-Tosylhydrazones with Thiocyanate Salt as the "cN" Source

Huang, Yubing,Yu, Yue,Zhu, Zhongzhi,Zhu, Chuanle,Cen, Jinghe,Li, Xianwei,Wu, Wanqing,Jiang, Huanfeng

, p. 7621 - 7627 (2017/07/26)

A novel protocol for the synthesis of α-aryl nitriles has been successfully achieved via a copper-catalyzed cyanation of N-tosylhydrazones employing thiocyanate as the source of cyanide. The features of this method include a convenient operation, readily available substrates, low-toxicity thiocyanate salts, and a broad substrate scope.

Phase transfer alkylation of arylacetonitriles revisited

Barbasiewicz, Micha?,Marciniak, Karolina,Fedoryński, Micha?

, p. 3871 - 3874 (2007/10/03)

Phase transfer alkylations of phenylacetonitrile derivatives carried out in the presence of 60-75% aqueous KOH, instead of the typical 50% NaOH, provide substantial improvements in the overall yields and purity of products. Reactions with simple secondary alkyl halides, as well as cycloalkylations with 1,2- and 1,3-dihaloalkanes proceed with good yields. Increasing the concentration of base diminishes the formation of by-products from competitive β-elimination processes.

Aromatase Inhibitors. Synthesis and Evaluation of Mammary Tumor Inhibiting Activity of 3-Alkylated 3-(4-Aminophenyl)piperidine-2,6-diones

Hartmann, Rolf W.,Batzl, Christine

, p. 1362 - 1369 (2007/10/02)

The synthesis and biological evaluation of 3-alkyl-substituted 3-(4-aminophenyl)piperidine-2,6-diones as inhibitors of estrogen biosynthesis are described .In vitro compounds 4-14 showed a stronger inhibition of human placental aromatase compared to aminoglutethimide (AG, compound 3), which recently has become used for the treatment of hormone-dependent breast cancer.The most active derivative, compound 10, showed a 93-fold stronger inhibition than AG.With the exception of 5, 7, and 8, all other compounds exhibited similar or decreased inhibition of bovine adrenal desmolase compared to AG.Compounds 4 and 6-12 showed a stronger inhibition of the plasma estradiol concentration of pregnant mare serum gonadotropin (PMSG) primed Sprague-Dawley (SD) rats compared to the parent compound.Compounds 4, 6-8, 10, and 12 inhibited the testosterone-stimulated tumor growth of ovariectomized 9,10-dimethyl-1,2-benzanthracene (DMBA) tumor-bearing SD rats more strongly than AG.Being stronger and more selective inhibitors of the estrogen biosynthesis than AG, some of the newly developed derivatives of AG might be better candidates for the treatment of the hormone-dependent human breast cancer.

SELECTIVE alpha -MONOALKYLATION OF PHENYLACETONITRILE USING ALKALI METAL HYDROXIDE IMPREGNATED ON ALUMINA.

Sukata

, p. 3306 - 3307 (2007/10/02)

In the alkylation of phenylacetonitrile with alkyl halides, alkali metal hydroxides impregnated on alumina act as efficient bases for selective alpha -monoalkylation in benzene. It is proposed that the reaction may take place exclusively in the pore. The selectivity for alpha -monoalkylation is explained in terms of steric hindrance.

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