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77100-93-7

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77100-93-7 Usage

Description

Benzenebutanoic acid, phenylmethyl ester, also known as Benzyl 4-Phenylbutanoate, is an organic compound that serves as an intermediate in the synthesis of various pharmaceutical compounds. It is characterized by the presence of a benzene ring and a butanoic acid group, with a phenylmethyl ester functional group attached to it.

Uses

Used in Pharmaceutical Industry:
Benzenebutanoic acid, phenylmethyl ester is used as an intermediate in the synthesis of Namino-3-[(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-propionyl Ibrutinib (A619015), which is an impurity of Ibrutinib (I124970). Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor, a drug used in the treatment of various B-cell malignancies, including chronic lymphocytic leukemia, mantle cell lymphoma, and Waldenstr?m's macroglobulinemia. The synthesis of Benzenebutanoic acid, phenylmethyl ester plays a crucial role in the development and production of these life-saving medications.

Check Digit Verification of cas no

The CAS Registry Mumber 77100-93-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,1,0 and 0 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 77100-93:
(7*7)+(6*7)+(5*1)+(4*0)+(3*0)+(2*9)+(1*3)=117
117 % 10 = 7
So 77100-93-7 is a valid CAS Registry Number.

77100-93-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl 4-phenylbutanoate

1.2 Other means of identification

Product number -
Other names 4-phenylbutyric acid

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:77100-93-7 SDS

77100-93-7Relevant articles and documents

Synthesis of Hf(IV) complex from cyclam (1,4,8,11-tetraazacyclotetradecane) -containing amino-amido groups

Thirumavalavan, Munusamy,Lee, Jiunn-Fwu

, p. 223 - 226 (2012)

The reactivity of cyclam (1,4,8,11-tetraazacyclcotetradecane)-containing amino-amido groups with hafnium(IV) chloride was described. Taylor & Francis Group, LLC.

Electrochemical Tandem Olefination and Hydrogenation Reaction with Ammonia

Zhang, Xiaofeng,Jiang, Runze,Cheng, Xu

, p. 16016 - 16025 (2021/08/24)

An electrochemical Horner-Wadsworth-Emmons/hydrogenation tandem reaction was achieved using ammonia as electron and proton donors. The reaction could give two-carbon-elongated ester and nitrile from aldehyde or ketones directly. This reaction could proceed with a catalytic amount of base or even without a base. The ammonia provides both the electron and proton for this tandem reaction and enables the catalyst-free hydrogenation of an α,β-unsaturated HWE intermediate. More than 40 examples were reported, and functional groups, including heterocycles and hydroxyl, were tolerated.

ZWITTERIONIC CATALYSTS FOR (TRANS)ESTERIFICATION: APPLICATION IN FLUOROINDOLE-DERIVATIVES AND BIODIESEL SYNTHESIS

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Paragraph 0019; 0031, (2021/01/29)

An amide/iminium zwitterion catalyst has a catalyst pocket size that promotes transesterification and dehydrative esterification. The amide/iminium zwitterions are easily prepared by reacting aziridines with aminopyridines. The reaction can be applied a wide variety of esterification processes including the large-scale synthesis of biodiesel. The amide/iminium zwitterions allow the avoidance of strongly basic or acidic condition and avoidance of metal contamination in the products. Reactions are carried out at ambient or only modestly elevated temperatures. The amide/iminium zwitterion catalyst is easily recycled and reactions proceed in high to quantitative yields.

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