Cyclohex-1-ene-1,2-dicarbonitrile

Base Information

• Chemical Name: Cyclohex-1-ene-1,2-dicarbonitrile
• CAS No.: 52477-67-5
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• DSSTox Substance ID: DTXSID00494783
• Wikidata: Q82342406
• Mol file: 52477-67-5.mol

Synonyms:52477-67-5;Cyclohex-1-ene-1,2-dicarbonitrile;1,2-dicyanocyclohexene;SCHEMBL819558;DTXSID00494783

Chemical Property of Cyclohex-1-ene-1,2-dicarbonitrile

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 228

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=C(C1)C#N)C#N

Technology Process of Cyclohex-1-ene-1,2-dicarbonitrile

There total 3 articles about Cyclohex-1-ene-1,2-dicarbonitrile 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:

cyclohex-1-ene-1,2-dicarboxamide (62601-01-8) → 3,4,5,6-tetrahydrophthalonitrile (52477-67-5)

Guidance literature:

With COCl₂;

DOI:10.1039/jr9540003730

Reference yield:

ethene (74-85-1) + 1,2-dicyanocyclobutene (3716-97-0) → 3,4,5,6-tetrahydrophthalonitrile (52477-67-5)

Guidance literature:

In benzene;

DOI:10.1002/hlca.19730560839

Reference yield:

→ 3,4,5,6-tetrahydrophthalonitrile (52477-67-5)

Guidance literature:

entspr. Diamid, Phosgen;

DOI:10.1021/jo00437a009

upstream raw materials:

cyclohex-1-ene-1,2-dicarboxamide

ethene

1,2-dicyanocyclobutene

Downstream raw materials:

nickel(II) phthalocyanine