5331-42-0

Basic information

• Product Name: 2-CYANO-3-PHENYLPROPIONIC ACID
• Synonyms: 2-CYANO-3-PHENYLPROPIONIC ACID
• CAS NO: 5331-42-0
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.18
• Mol File: 5331-42-0.mol

Chemical Properties

• Boiling Point: 357.4°C at 760 mmHg
• Flash Point: 169.9°C
• Appearance: /
• Vapor Pressure: 9.97E-06mmHg at 25°C
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-CYANO-3-PHENYLPROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CYANO-3-PHENYLPROPIONIC ACID(5331-42-0)
• EPA Substance Registry System: 2-CYANO-3-PHENYLPROPIONIC ACID(5331-42-0)

Safety Data

• Hazardous Substances Data: 5331-42-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-CYANO-3-PHENYLPROPIONIC ACID is used as an intermediate for the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs) due to its analgesic and anti-inflammatory properties. It serves as a starting material for the production of various pharmaceuticals that help alleviate pain and reduce inflammation.
Used in Agrochemical Industry:
2-CYANO-3-PHENYLPROPIONIC ACID is used as a building block for the synthesis of biologically active compounds in agrochemicals. Its unique structure and properties make it an important chemical in the development of agrochemicals that can improve crop yield and protect plants from pests and diseases.

InChI:InChI=1/C10H9NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H,12,13)/p-1/t9-/m1/s1

Upstream product

• 6731-58-4 ethyl 2-cyano-3-phenylpropanoate 
• 1011-92-3 2-cyano-3-phenylacrylic acid 
• 7732-18-5 water 
• 100-44-7 benzyl chloride 
• 1885-38-7 cinnamic nitrile 
• 124-38-9 carbon dioxide 
• 645-59-0 dihydrocinnamonitrile 

Downstream Products

• 92554-56-8 3-phenyl-2-phenylhydrazono-propionitrile 
• 62039-31-0 3-phenyl-2-p-tolylhydrazono-propionitrile 
• 138763-53-8 2-cyano-3-phenyl-propionyl chloride 
• 645-59-0 dihydrocinnamonitrile 
• 148549-97-7 N-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]phenyl]-α-cyano-benzenepropanamide 
• 62448-27-5 2-bromo-3-phenylpropanenitrile 
• 4443-06-5 α-(aminocarbonyl)benzenepropanoic acid 
• 124-38-9 carbon dioxide 
• 88518-40-5 3-Benzyl-5-ethoxycarbonyl-4-hydroxy-6-methyl-pyridin-2(1H)-on 
• 38468-72-3 3-Benzyl-5-ethoxycarbonyl-4-hydroxy-6-methyl-1-phenyl-pyridin-2(1H)-on 
• 88518-50-7 2-Amino-3-benzyl-5-carboxy-6-methyl-1H,4H-pyridin-4-on 
• 88518-42-7 2-Amino-3-benzyl-5-ethoxycarbonyl-6-methyl-1H,4H-pyridin-4-on 
• 88518-51-8 2-Amino-3-benzyl-5-carboxy-6-methyl-1-phenyl-1H,4H-pyridin-4-on 
• 88518-45-0 2-Amino-1,3-dibenzyl-5-ethoxycarbonyl-6-methyl-1H,4H-pyridin-4-on 

Relevant articles and documents

Double decarboxylative route to 3-substituted pyrrolidines: Reaction of monoalkyl malonates and related carboxylic acids with sarcosine and formaldehyde

Three-component reactions of monoalkyl malonates, cyanoacetic acids or 2-ketocarboxylic acids, N-methylglycine, and formaldehyde were developed to rapidly access 3-substituted pyrrolidines in 17–97% yield. These reactions represent a double decarboxylative domino-sequence promoted by pyrrolidine and involve N-methylazomethine ylide as the reactive intermediate.

Cobalt-catalyzed reductive carboxylation of α,β-unsaturated compounds with carbon dioxide

The gaseous carbon dioxide incorporation reaction with α,β-unsaturated compounds was examined in the presence of a catalytic amount of bis(acetylacetonato)cobalt(II) and using diethylzinc as a reductant. After screening with various electron-withdrawing g

Cobalt-catalyzed reductive carboxylation on α,β-unsaturated nitriles with carbon dioxide

The reductive carboxylation of α,β-unsaturated carbonyl compounds with carbon dioxide was studied. After the screening of various transition-metal complex catalysts and reducing agents, it was found that the combination of bis(acetylacetonato) cobalt(II)

Regiospecific decarboxylative allylation of nitriles

[Chemical Equation Presented] Palladium-catalyzed decarboxylative α-allylation of nitriles readily occurs with use of Pd2(dba) 3 and rac-BINAP. This catalyst mixture also allows the highly regiospecific α-allylation of nitriles in the presence of much more acidic α-protons. Thus, the reported method provides access to compounds that are not readily available via base-mediated allylation chemistries. Lastly, mechanistic investigations indicate that there is a competition between C- and N-allylation of an intermediate nitrile-stabilized anion and that N-allylation is followed by a rapid [3,3]-sigmatropic rearrangement.

Electrochemical reduction of cinnamonitrile in the presence of carbon dioxide: Synthesis of cyano- and phenyl-substituted propionic acids

Cyano- and phenyl-substituted propionic acids were synthesized simply and efficiently by electrocarboxylation of cinnamonitrile in undivided cells using the non-noble metal nickel as cathode and magnesium as the anode. The radical anion generated by the e

RENIN INHIBITING COMPOUNDS

Compounds which are amino acid derivatives and have the formula STR1 in which R 1 is hydrogen or methyl, R 2 is ethyl, propyl or imidazol-4-yl, R 3 is isobutyl, cyclohexylmethyl or benzyl, and A is defined as herein are useful as renin inhibitors.

Dipeptides as renin inhibitors

Dipeptides are described which are represented by the formula STR1 wherein the various substituents are defined hereinbelow. These compounds have a strong inhibitory efect on human renin, and are useful as a therapeutically active agent for the treatment of hypertension, especially renin-associated hypertension.

A MILD AND SELECTIVE METHOD OF ESTER HYDROLYSIS

Carboxylic esters, when refluxed in an aqueous suspension of Dowex-50, furnish the corresponding carboxylic acids in excellent yields.Tertiary esters and nitriles remain unaffected under this condition and β-keto esters undergo smooth decarboxylation.