Propanedinitrile, [(dimethylamino)phenylmethylene]-

Base Information

• Chemical Name: Propanedinitrile, [(dimethylamino)phenylmethylene]-
• CAS No.: 13724-10-2
• Molecular Formula: C12H11N3
• Molecular Weight: 197.239
• DSSTox Substance ID: DTXSID60392918
• Nikkaji Number: J1.754.825E
• Mol file: 13724-10-2.mol

Synonyms:13724-10-2;Propanedinitrile, [(dimethylamino)phenylmethylene]-;DTXSID60392918;dimethylamino-benzylidenemalononitrile;[alpha-(Dimethylamino)benzylidene]malononitrile;2-(N,N-Dimethylamino-phenyl-methylene)propanedinitrile

Chemical Property of Propanedinitrile, [(dimethylamino)phenylmethylene]-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.095297364
• Heavy Atom Count: 15
• Complexity: 324

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=C(C#N)C#N)C1=CC=CC=C1

Technology Process of Propanedinitrile, [(dimethylamino)phenylmethylene]-

There total 8 articles about Propanedinitrile, [(dimethylamino)phenylmethylene]- 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: 64.0%

[Tris(dimethylamino)methyl]benzol (30388-25-1) + malononitrile (109-77-3) → 2[N,N-dimethylamino(phenyl)methylene]propanedinitrile (13724-10-2)

Guidance literature:

In tetrahydrofuran; at 20 - 25 ℃; for 16h;

DOI:10.1515/znb-2002-0406

Reference yield: 63.0%

dimethyl amine (124-40-3) + trifluoro-methanesulfonic acid 2,2-dicyano-1-phenyl-vinyl ester → 2[N,N-dimethylamino(phenyl)methylene]propanedinitrile (13724-10-2)

Guidance literature:

In acetonitrile; for 1h;

DOI:10.1039/b105532c

Reference yield: 50.0%

N,N-dimethylammonium chloride (506-59-2) + 2-cyano-3-chlorocinnamonitrile (18270-61-6) → 2[N,N-dimethylamino(phenyl)methylene]propanedinitrile (13724-10-2)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl acetamide; at 20 ℃; for 24h;

DOI:10.1021/jo025516a

upstream raw materials:

2-(methoxyphenylmethylene)malononitrile

dimethyl amine

[Tris(dimethylamino)methyl]benzol

malononitrile