1,3-Butadiene-2,3-dicarbonitrile

Base Information

• Chemical Name: 1,3-Butadiene-2,3-dicarbonitrile
• CAS No.: 19652-57-4
• Molecular Formula: C₆H₄N₂
• Molecular Weight: 104.111
• DSSTox Substance ID: DTXSID10494219
• Nikkaji Number: J345.090B
• Mol file: 19652-57-4.mol

Synonyms:1,3-butadiene-2,3-dicarbonitrile;19652-57-4;Dimethylidenebutanedinitrile;SCHEMBL11569766;DTXSID10494219;FYDACBOZTMGMJN-UHFFFAOYSA-N

Chemical Property of 1,3-Butadiene-2,3-dicarbonitrile

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 104.037448136
• Heavy Atom Count: 8
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C#N)C(=C)C#N

Technology Process of 1,3-Butadiene-2,3-dicarbonitrile

There total 1 articles about 1,3-Butadiene-2,3-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:

ethene (74-85-1) + 2-butynedinitrile (1071-98-3) → 1,3-Butadiene-2,3-dicarbonitrile (19652-57-4) + 1,2-dicyanocyclobutene (3716-97-0)

Guidance literature:

In gas; for 24h; Product distribution; Irradiation; two different wave-lengths of radiation;

DOI:10.1021/jo00308a017

Reference yield: 57.2%

1,3-Butadiene-2,3-dicarbonitrile (19652-57-4) + 1,1-difluoroallene (430-64-8) → 1-(1-Cyanoethenyl)-3-(difluoromethylene)cyclobutanecarbonitrile (90029-28-0) + 1-(1-Cyanoethenyl)-2,2-difluoro-3-methylenecyclobutanecarbonitrile (90029-29-1) + 4-(Difluoromethylene)-1-cyclohexene-1,2-dicarbonitrile (90029-30-4) + 2,2-Difluoro-3'-(difluoromethylene)-3-methylene-<1,1'-bicyclobutyl>-1,1'-dicarbonitrile (90029-31-5)

Guidance literature:

In chloroform; for 96h; Further byproducts given; Ambient temperature;

DOI:10.1021/jo00187a016

Reference yield: 1.7%

1,3-Butadiene-2,3-dicarbonitrile (19652-57-4) + 1,1-difluoroallene (430-64-8) → 1-(1-Cyanoethenyl)-3-(difluoromethylene)cyclobutanecarbonitrile (90029-28-0) + 1-(1-Cyanoethenyl)-2,2-difluoro-3-methylenecyclobutanecarbonitrile (90029-29-1) + 4-(Difluoromethylene)-1-cyclohexene-1,2-dicarbonitrile (90029-30-4) + (R*,S*)-3,3'-Bis(methylene)-2,2,2',2'-tetrafluoro<1,1'-bicyclobutyl>-1,1'-dicarbonitrile (90029-32-6)

Guidance literature:

In chloroform; for 96h; Further byproducts given; Ambient temperature;

DOI:10.1021/jo00187a016

upstream raw materials:

ethene

2-butynedinitrile

Downstream raw materials:

cis-2,3-Dicarbodinitril-2-buten

dimethyl-fumaronitrile

1-(1-Cyanoethenyl)-3-(difluoromethylene)cyclobutanecarbonitrile

1-(1-Cyanoethenyl)-2,2-difluoro-3-methylenecyclobutanecarbonitrile

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