2-Cyanobenzophenone

Base Information

• Chemical Name: 2-Cyanobenzophenone
• CAS No.: 37774-78-0
• Molecular Formula: C14H9 N O
• Molecular Weight: 207.232
• Hs Code.: 2926909090
• European Community (EC) Number: 623-783-6
• DSSTox Substance ID: DTXSID70394685
• Nikkaji Number: J535.854J
• Wikidata: Q82194228
• Mol file: 37774-78-0.mol

Synonyms:2-Cyanobenzophenone;2-Benzoylbenzonitrile;37774-78-0;MFCD00672032;o-cyanobenzophenone;2-benzoyl-benzonitrile;2-Cyanobenzophenone, 97%;SCHEMBL1200740;2-CYANOBENZOPHENONE 97;DTXSID70394685;AKOS015913198;InChI=1/C14H9NO/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-9

Chemical Property of 2-Cyanobenzophenone

Chemical Property:

• Vapor Pressure: 7.49E-07mmHg at 25°C
• Melting Point: 82-87 °C(lit.)
• Refractive Index: 1.616
• Boiling Point: 407.5°Cat760mmHg
• Flash Point: 200.3°C
• PSA: 40.86000
• Density: 1.19g/cm³
• LogP: 2.78928
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.068413911
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

98%Min ^*data from raw suppliers

2-Cyanobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C#N
• Uses: 2-Cyanobenzophenone (2-benzoylbenzonitrile) may be used in the preparation of 3-phenyl-3H-isobenzofuran-1-ylidenamine.

Technology Process of 2-Cyanobenzophenone

There total 20 articles about 2-Cyanobenzophenone 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: 87.0%

C7H4ClMgN*ClLi + benzoyl chloride (98-88-4) → 2-cyanobenzophenone (37774-78-0)

Guidance literature:

C₇H₄ClMgN*ClLi; With CuCN*2LiCl;

benzoyl chloride;

Reference yield: 80.0%

carbon monoxide (201230-82-2) + 2-<(trifluoromethanesulfonyl)oxy>benzonitrile (138313-23-2) + phenylboronic acid (98-80-6) → 2-cyanobenzophenone (37774-78-0)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium(II) trifluoroacetate; In tert-butyl methyl ether; at 80 ℃; for 6h; under 760.051 Torr;

DOI:10.1039/c6ra14678c

Reference yield: 77.0%

carbon monoxide (201230-82-2) + o-cyanobromobenzene (2042-37-7) + triethoxyphenylsilane (780-69-8) → 2-cyanobenzophenone (37774-78-0)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); cesium fluoride; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 6h; under 760.051 Torr;

DOI:10.1016/j.tetlet.2016.02.058

upstream raw materials:

(2-aminophenyl)(phenyl)methanone

(2-chlorophenyl)(phenyl)methanone

copper(I) cyanide

o-cyanobromobenzene

Downstream raw materials:

2-Benzoylbenzoic acid

N-(3-oxo-1-phenyl-isoindolin-1-yl)-formamide

1,3-diphenyl-1H-isoindol-1-ol

2-(α-hydroxy-benzhydryl)-benzophenone-imine