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Benzenepropanoic acid, α-(cyanomethyl)-β-oxo-, ethyl ester, also known as 3-(cyanomethyl)-2-oxo-3-phenylpropanoic acid ethyl ester, is a synthetic chemical compound with the molecular formula C13H13NO3. It is a derivative of benzenepropanoic acid, featuring a cyanomethyl group (-CN) at the α-position and an oxo group (-O) at the β-position. The ethyl ester functional group is attached to the carboxylic acid, making it a member of the ester class. Benzenepropanoic acid, a-(cyanomethyl)-b-oxo-, ethyl ester is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly in the production of certain antibiotics and herbicides. Its chemical structure and properties make it a versatile building block in organic chemistry, allowing for further functionalization and modification in the development of new compounds with specific therapeutic or pesticidal properties.

869641-03-2

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869641-03-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 869641-03-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,9,6,4 and 1 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 869641-03:
(8*8)+(7*6)+(6*9)+(5*6)+(4*4)+(3*1)+(2*0)+(1*3)=212
212 % 10 = 2
So 869641-03-2 is a valid CAS Registry Number.

869641-03-2SDS

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 ethyl 2-(cyanomethyl)-3-oxo-3-phenylpropanoate

1.2 Other means of identification

Product number -
Other names -

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

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More Details:869641-03-2 SDS

869641-03-2Relevant academic research and scientific papers

An effective new synthesis of 2-aminopyrrole-4-carboxylates

Demir, Ayhan S.,Emrullahoglu, Mustafa

, p. 10482 - 10489 (2007/10/03)

Efficient syntheses of 2-aminopyrroles are presented starting from β-dicarbonyl compounds, bromoacetonitrile, and amines. Alkylation of β-dicarbonyl compounds with bromoacetonitrile furnished α-cyanomethyl-β-dicarbonyl compounds. The condensation reaction of α-cyanomethyl-β-dicarbonyl compounds with amines catalyzed by p-TsOH affords the corresponding enamines in good yields. Base catalyzed cyclization via the addition of an amine moiety to the carbon-nitrogen triple bond of nitrile furnished 2-aminopyrroles in high yields.

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