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3-(2-Cyanophenyl)propanoic acid, a member of the phenylpropanoid class, is a colorless to pale yellow crystalline solid with a faint odor. It is known for its potential anti-inflammatory and analgesic properties, making it a subject of interest in the research and development of new drugs and pharmaceuticals.

27916-43-4

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27916-43-4 Usage

Uses

Used in Pharmaceutical Industry:
3-(2-Cyanophenyl)propanoic acid is used as an intermediate in the synthesis of various pharmaceuticals for its potential anti-inflammatory and analgesic properties, contributing to the development of treatments for inflammatory and pain-related conditions.
Used in Agrochemical Industry:
3-(2-Cyanophenyl)propanoic acid is utilized in the synthesis of agrochemical products, playing a role in the development of substances that can protect crops and enhance agricultural productivity.
Used in Research and Development:
In the scientific community, 3-(2-Cyanophenyl)propanoic acid serves as a key compound in research aimed at discovering and formulating new drugs, potentially leading to breakthroughs in medical and agricultural applications.
Safety Note:
It is crucial to handle 3-(2-Cyanophenyl)propanoic acid with care due to its potential to cause irritation to the skin, eyes, and respiratory system upon contact or inhalation, emphasizing the need for proper safety measures during its use.

Check Digit Verification of cas no

The CAS Registry Mumber 27916-43-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,7,9,1 and 6 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 27916-43:
(7*2)+(6*7)+(5*9)+(4*1)+(3*6)+(2*4)+(1*3)=134
134 % 10 = 4
So 27916-43-4 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO2/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)

27916-43-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-cyanophenyl)propanoic acid

1.2 Other means of identification

Product number -
Other names Benzenepropanoic acid,2-cyano

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:27916-43-4 SDS

27916-43-4Relevant academic research and scientific papers

Preparation method of 3-(2-cyanophenyl)propionic acid and 4-cyano-1-indanone

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Paragraph 0055-0059; 0065-0069, (2021/08/07)

The invention provides a preparation method of 3-(2-cyanophenyl)propionic acid and 4-cyano-1-indanone, wherein the preparation method comprises the steps: mixing 2-cyanobenzaldehyde, Meldrum's acid, formic acid and alkali, and carrying out condensation reaction on the 2-cyanobenzaldehyde and the Meldrum's acid to prepare the 3-(2-cyanophenyl)propionic acid; making 3-(2-cyanophenyl)propionic acid contact with a chlorination reagent, carrying out acylating chlorination reaction, and thus obtaining an acylating chlorination product; and carrying out Friedel-Crafts acylation reaction on the acylating chlorination product in the presence of a catalyst to prepare the 4-cyano-1-indanone. The method can improve the preparation efficiency of 3-(2-cyanophenyl)propionic acid and 4-cyano-1-indanone, and has the advantages of short route, low cost, small pollution and the like.

Method for preparing 2, 3-dihydro-1-oxo-1H-indene-4-carbonitrile

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Paragraph 0026; 0045-0048; 0057; 0058, (2020/10/05)

The invention discloses a method for preparing 2, 3-dihydro-1-oxo-1H-indene-4-carbonitrile, comprising the following steps of: carrying out a reaction between 2-cyanobenzyl bromide and 2,2-dimethyl-1,3-dioxane-4,6-dione, carrying out condensation, hydrolysis and decarboxylation, and finally carrying out Friedel-Crafts acylation, thereby obtaining the 2, 3-dihydro-1-oxo-1H-indene-4-carbonitrile. The method is simple, free of cyanide pollution and high in yield.

Preparation method of indanone intermediate

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, (2020/01/12)

The invention provides a preparation method of an indanone intermediate, and belongs to the field of pharmaceutical chemicals. The prepration method comprises the following steps: carrying out condensation reaction, hydrolysis and decarboxylation of 2-cyanobenzyl bromide or 2-cyanobenzyl chloride and dimethyl malonate in an organic solvent to obtain 2-cyanophenylpropionic acid; and reacting the obtained 2-cyanobenzene propionic acid with aluminum trichloride and an assistant agent to obtain 4-cyano-1-indanone. According to the invention, no highly toxic cyaniding reagent is needed, and the method has the advantages of high product purity, good safety, high yield, simple operation and the like. The method provided by the invention can effectively prepare the indanone intermediate, and provides favorable conditions for further preparation of ozanimod.

A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid

Liu, Wei,Ren, Wenlong,Li, Jingfu,Shi, Yuan,Chang, Wenju,Shi, Yian

supporting information, p. 1748 - 1751 (2017/04/11)

An effective Pd-catalyzed hydrocarboxylation of aryl olefins with Ac2O and formic acid is described. A variety of 2- and 3-arylpropanoic acids can be regioselectively formed by the judicious choice of ligand without the use of toxic CO gas.

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