Hex-2-enedinitrile

Base Information

• Chemical Name: Hex-2-enedinitrile
• CAS No.: 2141-59-5
• Molecular Formula: C6H6N2
• Molecular Weight: 106.127
• European Community (EC) Number: 235-914-0
• UNII: 5LDZ47PQME
• Nikkaji Number: J1.005.638A,J317.775K
• Mol file: 2141-59-5.mol

Synonyms:hex-2-enedinitrile;2141-59-5;5LDZ47PQME;2-Hexenedinitrile, (2E)-;13042-02-9;2-Hexenodinitrilo;(E)-hex-2-enedinitrile;alpha-Hydromucononitrile (6CI);1,4-dicyanobutene;(E)-2-Hexenedinitrile;2-Hexenedinitrile, E-;UNII-5LDZ47PQME;SCHEMBL2190216;2-HEXENEDINITRILE, (E)-;TRANS-1,4-DICYANO-1-BUTENE;AKOS006272314;.ALPHA.-HYDROMUCONONITRILE, TRANS-

Chemical Property of Hex-2-enedinitrile

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 106.053098200
• Heavy Atom Count: 8
• Complexity: 162

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CC#N)C=CC#N
• Isomeric SMILES: C(CC#N)/C=C/C#N

Technology Process of Hex-2-enedinitrile

There total 5 articles about Hex-2-enedinitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 20.0%

acrylonitrile (107-13-1,25014-41-9) → cis-1,4-dicyanobut-1-ene (2141-58-4) + trans-1,4-dicyanobut-1-ene (2141-59-5) + hexanedinitrile (111-69-3) + propiononitrile (107-12-0)

Guidance literature:

With hydrogen; (η6-1,3,5-cyclooctatriene)(η4-1,5-cyclooctadiene)ruthenium(0); at 150 ℃; for 3h; under 19000 Torr;

DOI:10.1246/bcsj.71.1409

Reference yield:

acrylonitrile (107-13-1,25014-41-9) → trans-1,4-dicyano-2-butene (18715-38-3) + cis-1,4-dicyanobut-1-ene (2141-58-4) + trans-1,4-dicyanobut-1-ene (2141-59-5) + 2,4-dicyano-1-butene (1572-52-7)

Guidance literature:

isopropyl diphenylphosphinite; In isopropyl alcohol; toluene; at 60 ℃; Further Variations:; Catalysts; Solvents; Temperatures; Kinetics;

DOI:10.1039/a707559f

Reference yield:

hydrogen cyanide (74-90-8) + penta-2,4-dienenitrile (1615-70-9) → trans-1,4-dicyano-2-butene (18715-38-3) + cis-1,4-dicyanobut-1-ene (2141-58-4) + trans-1,4-dicyanobut-1-ene (2141-59-5) + (Z)-3-hexene-1,6-dinitrile (28317-02-4)

Guidance literature:

triethylamine; In acetonitrile; at 40 ℃; Product distribution / selectivity;

upstream raw materials:

acrylonitrile

epoxybutene

hydrogen cyanide

penta-2,4-dienenitrile

Downstream raw materials:

hexanedinitrile