Benzonitrile, 4-(2-bromo-1-hydroxyethyl)-, (R)-

Base Information

Chemical Name:Benzonitrile, 4-(2-bromo-1-hydroxyethyl)-, (R)-
CAS No.:96855-39-9
Molecular Formula:C9H8BrNO
Molecular Weight:226.07000
Hs Code.:
DSSTox Substance ID:DTXSID301245127
Nikkaji Number:J2.651.164J

Synonyms:DTXSID301245127;AKOS021320504;96855-39-9;Benzonitrile, 4-(2-bromo-1-hydroxyethyl)-, (R)-

Suppliers and Price of Benzonitrile, 4-(2-bromo-1-hydroxyethyl)-, (R)-

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 2 raw suppliers

Chemical Property of Benzonitrile, 4-(2-bromo-1-hydroxyethyl)-, (R)-

Chemical Property:

PSA：44.02000
LogP:1.98658
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:224.97893
Heavy Atom Count:12
Complexity:178

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)C(CBr)O
Isomeric SMILES:C1=CC(=CC=C1C#N)[C@H](CBr)O

Technology Process of Benzonitrile, 4-(2-bromo-1-hydroxyethyl)-, (R)-

There total 3 articles about Benzonitrile, 4-(2-bromo-1-hydroxyethyl)-, (R)- 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: 88.0%

: 20099-89-2
4-Cyanophenacyl bromide

: 1097210-25-7
(S)-4-(2-bromo-1-hydroxyethyl)benzonitrile

: 96855-39-9
p-cyano-α-(bromomethyl)benzenemethanol

Guidance literature:: With formic acid; C₂₅H₂₉N₂O₃RuS; potassium formate; In water; ethyl acetate; at 50 ℃; for 6h; enantioselective reaction; Inert atmosphere;
DOI:10.1002/adsc.201701227

Reference yield:

: 85554-13-8
(±)-4-(2-bromo-1-hydroxyethyl)benzonitrile

: 1097210-25-7
(S)-4-(2-bromo-1-hydroxyethyl)benzonitrile

: 96855-39-9
p-cyano-α-(bromomethyl)benzenemethanol

Guidance literature:: With ammonium acetate; In water; acetonitrile; at 20 ℃; Resolution of racemate;
DOI:10.1021/acs.oprd.6b00366

Reference yield:

: 20099-89-2
4-Cyanophenacyl bromide

: 96855-39-9
p-cyano-α-(bromomethyl)benzenemethanol

Guidance literature:: With ketoreductase KRED-NADH-126; NADH; Reagent/catalyst; stereoselective reaction; Inert atmosphere; Enzymatic reaction;
DOI:10.1021/acs.oprd.6b00366