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3-Cyano-benzenepropanoic acid, also known as alpha-cyano-3-(phenylmethyl)benzoic acid, is a chemical compound with the molecular formula C15H11NO2. It is a derivative of benzenepropanoic acid with a cyano group attached to the third carbon. 3-CYANO-BENZENEPROPANOIC ACID is characterized by its potential applications in the synthesis of pharmaceuticals and organic compounds, making it a valuable building block for creating biologically active molecules.

42287-97-8

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42287-97-8 Usage

Uses

Used in Pharmaceutical Industry:
3-CYANO-BENZENEPROPANOIC ACID is used as a building block for the synthesis of various biologically active molecules, contributing to the development of new pharmaceuticals. Its unique structure allows for the creation of diverse compounds with potential therapeutic properties.
Used in Organic Chemistry:
3-CYANO-BENZENEPROPANOIC ACID is used as a reagent in organic synthesis, enabling the formation of a wide range of organic compounds. Its versatility in chemical reactions makes it a valuable component in the synthesis of various organic molecules.
Used in Antiviral and Antibacterial Research:
3-CYANO-BENZENEPROPANOIC ACID is used as a subject of study for its potential antiviral and antibacterial properties. Research into its biological activity may lead to the development of new treatments for viral and bacterial infections.
Safety Considerations:
It is important to handle 3-CYANO-BENZENEPROPANOIC ACID with caution, as it may have toxic effects if ingested or inhaled. Proper safety measures should be taken during its use to minimize potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 42287-97-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,2,8 and 7 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 42287-97:
(7*4)+(6*2)+(5*2)+(4*8)+(3*7)+(2*9)+(1*7)=128
128 % 10 = 8
So 42287-97-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-3,6H,4-5H2,(H,12,13)

42287-97-8SDS

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-Cyanobenzenepropanoic acid

1.2 Other means of identification

Product number -
Other names 3-(3-cyanophenyl)propanoic 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:42287-97-8 SDS

42287-97-8Relevant academic research and scientific papers

Synthesis and in vitro evaluation of human FP-receptor selective prostaglandin analogues

DeLong, Mitchell A.,Amburgey, Jack,Taylor, Cynthia,Wos, John A.,Soper, David L.,Wang, Yili,Hicks, Renee

, p. 1519 - 1522 (2007/10/03)

The in vitro evaluation of a series of saturated prostaglandins revealed that compounds with omega chin aromatic rings retain nanomolar potency for the human prostaglandin F receptor (hFP receptor), exemplified by compound 8. In contrast, the double bonds are required for activity in the series with an acyclic omega chain as in PGF(2α). (C) 2000 Published by Elsevier Science Ltd.

Identification and initial structure-activity relationships of a novel class of nonpeptide inhibitors of blood coagulation factor Xa

Klein, Scott I.,Czekaj, Mark,Gardner, Charles J.,Guertin, Kevin R.,Cheney, Daniel L.,Spada, Alfred P.,Bolton, Scott A.,Brown, Karen,Colussi, Dennis,Heran, Christopher L.,Morgan, Suzanne R.,Leadley, Robert J.,Dunwiddie, Christopher T.,Perrone, Mark H.,Chu, Valeria

, p. 437 - 450 (2007/10/03)

The discovery and some of the basic structure-activity relationships of a series of novel nonpeptide inhibitors of blood coagulation Factor Xa is described. These inhibitors are functionalized β-alanines, exemplified by 2a. Docking experiments placing 2a in the active site of Factor Xa implied that the most expeditious route to enhancing in vitro potency was to modify the group occupying the S3 site of the enzyme. Increasing the hydrophobic contacts between the inhibitor and the enzyme in this region led to 8, which has served as the prototype for this series. In addition, an enantioselective synthesis of these substituted β-alanines was also developed.

Organic compounds and their pharmaceutical use

-

, (2008/06/13)

There are provided anti-allergic pharmaceutical compounds of formula: STR1 in which n is 0, 1 or 2; R1 is a hydrocarbyl group containing 6 to 30 carbon atoms and optionally substituted with an optionally substituted phenyl group; R2

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