3-[Hydroxy(phenyl)methyl]benzonitrile

Base Information

Chemical Name:3-[Hydroxy(phenyl)methyl]benzonitrile
CAS No.:13428-06-3
Molecular Formula:C14H11NO
Molecular Weight:209.247
Hs Code.:
DSSTox Substance ID:DTXSID30597276
Nikkaji Number:J2.805.923J
Mol file:13428-06-3.mol

Synonyms:3-[Hydroxy(phenyl)methyl]benzonitrile;13428-06-3;3-cyanobenzhydrol;SCHEMBL1507787;DTXSID30597276

Suppliers and Price of 3-[Hydroxy(phenyl)methyl]benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 3-[Hydroxy(phenyl)methyl]benzonitrile

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:209.084063974
Heavy Atom Count:16
Complexity:261

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-[Hydroxy(phenyl)methyl]benzonitrile

There total 8 articles about 3-[Hydroxy(phenyl)methyl]benzonitrile 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: 76.0%

: 24964-64-5
3-Cyanobenzaldehyde

: phenylmagnesium bromide

: 13428-06-3
3-(hydroxy(phenyl)methyl)benzonitrile

Guidance literature:: In diethyl ether; benzene; for 1h; Heating;
DOI:10.1021/ja00414a048

Reference yield:

: (2-bromo-5-cyanophenyl)phenylmethanol

: 13428-06-3
3-(hydroxy(phenyl)methyl)benzonitrile

Guidance literature:: With palladium diacetate; formic acid; triethylamine; In N,N-dimethyl-formamide; at 50 ℃;
DOI:10.1021/ja0342300

Reference yield:

: 69113-59-3
3-iodobenzonitrile

: 100-52-7
benzaldehyde

: 13428-06-3
3-(hydroxy(phenyl)methyl)benzonitrile

Guidance literature:: With diisopropylmagnesium; Yield given. Multistep reaction; 1.) THF, -40 deg C, 0.5 h, 2.) THF;
DOI:10.1002/(SICI)1521-3773(19980703)37:12<1701::AID-ANIE1701>3.0.CO;2-U