51789-75-4

Basic information

• Product Name: α-Ethylcyanoacetic acid
• Synonyms: 2-Cyanobutanoic acid;α-Ethylcyanoacetic acid;1-Cyanopropane-1-carboxylic acid;2-Cyano-butyric acid
• CAS NO: 51789-75-4
• Molecular Formula: C₅H₇NO₂
• Molecular Weight: 113.12
• Mol File: 51789-75-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 266.4°Cat760mmHg
• Flash Point: 114.9°C
• Appearance: /
• Density: 1.137g/cm³
• Vapor Pressure: 0.0025mmHg at 25°C
• Refractive Index: 1.448
• PKA: 2.56±0.10(Predicted)
• CAS DataBase Reference: α-Ethylcyanoacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: α-Ethylcyanoacetic acid(51789-75-4)
• EPA Substance Registry System: α-Ethylcyanoacetic acid(51789-75-4)

Safety Data

• Hazardous Substances Data: 51789-75-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C5H7NO2/c1-2-4(3-6)5(7)8/h4H,2H2,1H3,(H,7,8)

Upstream product

• 80-58-0 2-Bromobutyric acid 
• 151-50-8 potassium cyanide 
• 109-74-0 propyl cyanide 
• 124-38-9 carbon dioxide 

Downstream Products

• 109-74-0 propyl cyanide 
• 15719-64-9 methylammonium carbonate 
• 88866-04-0 (2-cyano-butyryl)-urea 
• 610784-26-4 (2RS)-(1'S,2'R,4'R)-10'-(dicyclohexylsulfamoyl)isobornyl-2-cyanobutanoate 
• 154520-13-5 (2R)-(1S,2R,4R)-10-(Dicyclohexylsulfamoyl)isobornyl 2-cyano-2-methylbutanoate 
• 154520-23-7 (2R)-(1S,2R,4R)-10-(Dicyclohexylsulfamoyl)isobornyl 2-(aminomethyl)-2-methylbutanoate 
• 154520-25-9 (2S)-(1S,2R,4R)-10-(Dicyclohexylsulfamoyl)isobornyl 2-(aminomethyl)-2-benzylbutanoate 
• 154520-14-6 (2S)-(1'S,2'R,4'R)-10'-(dicyclohexylsulfamoyl)isobornyl-2-cyano-2-ethyl-4-pentenoate 
• 154520-15-7 (2S)-(1S,2R,4R)-10-(Dicyclohexylsulfamoyl)isobornyl 2-benzyl-2-cyanobutanoate 
• 98730-77-9 1-hydroxymethyl-cyclopropanecarbonitrile 

Relevant articles and documents

CO2 anion-radical in organic carboxylations

This letter shows a first approximation to the use of CO2 anion-radical in the obtention of α-methyl and α-ethylcyanoacetic acids from propionitrile and butyronitrile, respectively, through a paired electrochemical reaction with CO2. The electrosynthesis of α-chloro-phenylacetic acid from benzyl chloride and phenylacetic acid from toluene by another proposed pathway is also discussed.