2-[Cyano(phenyl)methyl]benzenecarbonitrile

Base Information

• Chemical Name: 2-[Cyano(phenyl)methyl]benzenecarbonitrile
• CAS No.: 127667-03-2
• Molecular Formula: C15H10 N2
• Molecular Weight: 218.258
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90383915
• Nikkaji Number: J331.597E
• Mol file: 127667-03-2.mol

Synonyms:127667-03-2;2-[Cyano(phenyl)methyl]benzenecarbonitrile;2-[cyano(phenyl)methyl]benzonitrile;2-(Cyano(phenyl)methyl)benzonitrile;Bionet2_000893;DTXSID90383915;2-(alpha-Cyanobenzyl)benzonitrile;HMS1366I13;CFA66703;MFCD00231972;AKOS005070777;CS-0334593;FT-0643071;6G-015;A805725;2-(N-Benzylanilinomethyl)-2-imidazolinehydrochloride;J-506336

Chemical Property of 2-[Cyano(phenyl)methyl]benzenecarbonitrile

Chemical Property:

• Vapor Pressure: 1.91E-06mmHg at 25°C
• Melting Point: 85-87°C
• Boiling Point: 394.9°Cat760mmHg
• Flash Point: 189.6°C
• PSA: 47.58000
• Density: 1.16g/cm³
• LogP: 3.21376
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.084398327
• Heavy Atom Count: 17
• Complexity: 336

Purity/Quality:

97% ^*data from raw suppliers

2-[Cyano(phenyl)methyl]benzenecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2C#N

Technology Process of 2-[Cyano(phenyl)methyl]benzenecarbonitrile

There total 5 articles about 2-[Cyano(phenyl)methyl]benzenecarbonitrile 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: 98.0%

2-Chlorobenzonitrile (873-32-5) + phenylacetonitrile (140-29-4) → 2-(cyano(phenyl)methyl)benzonitrile (127667-03-2)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 25 ℃; for 1h;

DOI:10.1021/jo00303a011

Reference yield: 90.0%

2-fluorobenzonitrile (394-47-8) + phenylacetonitrile (140-29-4) → 2-(cyano(phenyl)methyl)benzonitrile (127667-03-2)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 25 ℃;

DOI:10.1021/jo00303a011

Reference yield: 69.0%

2-Chlorobenzonitrile (873-32-5) + phenylacetonitrile (140-29-4) → (E)-3-Amino-3-(2-chloro-phenyl)-2-phenyl-acrylonitrile + 2-(cyano(phenyl)methyl)benzonitrile (127667-03-2)

Guidance literature:

In chlorobenzene; at 20 ℃; rctn. with other substituted benzonitriles (displacement and addition); rctn. with 2-chlobenzophenone; other solvents;

DOI:10.1021/jo00303a011

upstream raw materials:

2-Chlorobenzonitrile

phenylacetonitrile

2-fluorobenzonitrile

2-(trimethylsilyl)phenyl trifluoromethanesulfonate

Downstream raw materials:

1-bromo-4-phenylisoquinolin-3-amine

1,3,4-triphenylisoquinoline

1-butyl-4-phenyl-isoquinolin-3-ylamine

1-amino-2-(methoxycarbonyl)-3-cyano-3-phenyl-1H-indene

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