2-(1-Phenylethylidene)malononitrile

Base Information

• Chemical Name: 2-(1-Phenylethylidene)malononitrile
• CAS No.: 5447-87-0
• Molecular Formula: C11H8 N2
• Molecular Weight: 168.198
• Hs Code.: 2926909090
• European Community (EC) Number: 688-685-8
• NSC Number: 17554
• DSSTox Substance ID: DTXSID7063895
• Nikkaji Number: J123.946E
• Mol file: 5447-87-0.mol

Synonyms:2-(1-Phenylethylidene)malononitrile;5447-87-0;1,1-Dicyano-2-phenylpropene;2-(1-phenylethylidene)propanedinitrile;Propanedinitrile, (1-phenylethylidene)-;(1-Phenylethylidene)malononitrile;alpha-Methylbenzalmalononitrile;Malononitrile, (.alpha.-methylbenzylidene)-;.alpha.-Methylbenzalmalononitrile;alpha-Methylbenzylidenemalononitrile;.alpha.-Methylbenzylidenemalononitrile;NSC 17554;AI3-16815;Propanedinitrile, 2-(1-phenylethylidene)-;NSC17554;Enamine_001063;SCHEMBL178769;DTXSID7063895;HMS1397A07;(1-phenylethylidene)propanedinitrile;1-dicyano-2-methyl-2-phenylethylene;alpha-Methyl-beta,beta-dicyanostyrene;MFCD00159012;NSC-17554;STK410879;AKOS000506067;2-(1-Phenylethylidene)malononitrile #;2-(1-phenyl-ethylidene)-propanedinitrile;Malononitrile, (alpha-methylbenzylidene)-;UPCMLD0ENAT0503-7384:001;CS-0155171;FT-0680218;C75558;2R-0229;A870437;J-505405;Z56788177

Chemical Property of 2-(1-Phenylethylidene)malononitrile

Chemical Property:

• Vapor Pressure: 0.00259mmHg at 25°C
• Melting Point: 94-96°C
• Boiling Point: 286.8°Cat760mmHg
• Flash Point: 127.8°C
• PSA: 47.58000
• Density: 1.096g/cm³
• LogP: 2.50726
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.068748264
• Heavy Atom Count: 13
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

α-Methylbenzylidenemalononitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(1-Phenylethylidene)malononitrile

There total 10 articles about 2-(1-Phenylethylidene)malononitrile 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: 74.71%

acetophenone (98-86-2) + malonitrile (4341-85-9) → 2-(1-phenylethylidene)propanedinitrile (5447-87-0)

Guidance literature:

With ammonium acetate; acetic acid; at 99.99 ℃; for 24h; Reflux;

DOI:10.1002/chem.201804677

Reference yield: 65.0%

2-bromo-1-phenylethylidenemalononitrile (4651-78-9) → 2-(1-phenylethylidene)propanedinitrile (5447-87-0)

Guidance literature:

With AcrH₂; In acetonitrile; at 65 ℃; for 72h;

DOI:10.1016/S0040-4039(00)74425-X

Reference yield: 16.0%

2-amino-4-methyl-4,6-diphenyl-4H-pyran-3,5-dicarbonitrile (131534-24-2) → 2-(1-phenylethylidene)propanedinitrile (5447-87-0) + 6-amino-3-cyano-2,4-diphenylpyridine (21628-33-1)

Guidance literature:

With ammonium acetate; acetic acid; for 5h; Heating;

upstream raw materials:

2-amino-4-methyl-4,6-diphenyl-4H-pyran-3,5-dicarbonitrile

2-bromo-1-phenylethylidenemalononitrile

2-(1-phenylethyl)propanedinitrile

1-Phenylethanol

Downstream raw materials:

1,1,2,2-tetracyano-3-methyl-3-phenylcyclopropane

2-(1-phenylethyl)propanedinitrile

3-Phenyl-2.2-dicyan-buttersaeure-ethylester

2,2-Dicyan-1,3-diphenyl-butan