67889-07-0

Basic information

• Product Name: (2E)-hex-2-enenitrile
• Synonyms: (2E)-Hex-2-enenitrile; 2-hexenenitrile, (2E)-
• CAS NO: 67889-07-0
• Molecular Formula: C₆H₉N
• Molecular Weight: 95.1424
• Mol File: 67889-07-0.mol

Chemical Properties

• Boiling Point: 148.704°C at 760 mmHg
• Flash Point: 42.928°C
• Density: 0.83g/cm³
• Vapor Pressure: 4.169mmHg at 25°C
• Refractive Index: 1.434
• CAS DataBase Reference: (2E)-hex-2-enenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (2E)-hex-2-enenitrile(67889-07-0)
• EPA Substance Registry System: (2E)-hex-2-enenitrile(67889-07-0)

Safety Data

• Hazardous Substances Data: 67889-07-0(Hazardous Substances Data)

Upstream product

• 102804-61-5 Allyl 2-cyanohexanoate 
• 13419-69-7 (E)-2-Hexenoic acid 
• 75-05-8 acetonitrile 

Relevant articles and documents

TRANS-NITRILATION IN THE SERIES OF 2-ALKENOIC ACIDS

In the case of the reaction of trans-2-hexenoic acid with acetonitrile it was established that acids of the olefinic series enter into trans-nitrilation with aliphatic nitriles; the reaction is complicated by thermal isomerization both of the initial acid and of the reaction products, i.e., the corresponding nitrile and N-acylamide.Under the conditions of the reaction of trans-2-hexenoic acid with deuteroacetonitrile-d3 1,3-hydride-deuteride shifts occur in the intermediate compounds (the N-acylamides).This leads to a redistribution of the deuterium atoms between the products of the investigated reaction.

New Methods for the Syntheses of α,β-Unsaturated Ketones, Aldehydes, and Nitriles by the Palladium-Catalyzed Reactions of Allyl β-Oxo Esters, Allyl 1-Alkenyl Carbonates, and Allyl α-Cyano Esters

Allyl β-oxo esters, allyl 1-alkenyl carbonates, and allyl α-cyano esters are converted into α,β-unsaturated ketones, aldehydes, and nitriles by palladium-catalyzed intramolecular decarboxylation-dehydrogenation.Palladium-phosphine complexes such as Pd(OAc)2-PPh3, Pd(OAc)2-dppe, or Pd2(dba)3*CHCl3-PPh3, are effective catalysts.Yields depend on solvents and on the mole ratio of palladium to phosphine.The optimum Pd/P ratio for each substrate was determined.Use of nitriles as solvents is essential for the dehydrogenation.