3-Bromo-4-hydroxyphenylacetonitrile

Base Information

Chemical Name:3-Bromo-4-hydroxyphenylacetonitrile
CAS No.:73348-21-7
Molecular Formula:C8H6BrNO
Molecular Weight:212.04334
Hs Code.:
DSSTox Substance ID:DTXSID90461944
Metabolomics Workbench ID:169559
Nikkaji Number:J1.515.378D
Wikidata:Q82286402
Mol file:73348-21-7.mol

Synonyms:3-bromo-4-hydroxyphenylacetonitrile;2-(3-Bromo-4-hydroxyphenyl)acetonitrile;73348-21-7;SCHEMBL4375333;DTXSID90461944;CS-0305736;F70692;EN300-1894070

Suppliers and Price of 3-Bromo-4-hydroxyphenylacetonitrile

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 5 raw suppliers

Chemical Property of 3-Bromo-4-hydroxyphenylacetonitrile

Chemical Property:

Melting Point:118-119 °C
Boiling Point:324.4±27.0 °C(Predicted)
PKA:8.15±0.18(Predicted)
PSA：44.02000
Density:1.627±0.06 g/cm3(Predicted)
LogP:2.22078
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:210.96328
Heavy Atom Count:11
Complexity:174

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1CC#N)Br)O

Technology Process of 3-Bromo-4-hydroxyphenylacetonitrile

There total 6 articles about 3-Bromo-4-hydroxyphenylacetonitrile 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%

: 772-59-8
(3-bromo-4-methoxyphenyl)-acetonitrile

: 73348-21-7
2-(3-bromo-4-hydroxyphenyl)acetonitrile

Guidance literature:: With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 14h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.6b00007

Reference yield: 89.0%

: 146884-05-1
(E)-3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanoic acid

: 73348-21-7
2-(3-bromo-4-hydroxyphenyl)acetonitrile

Guidance literature:: With trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jo010015v

Reference yield:

: 862269-71-4
3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanoic acid

: C₁₇H₂₃N₃O₃S₂

: 1395313-10-6
(E)-3-(3-bromo-4-hydroxyphenyl)-N-(2-((2-(2-(7-(dimethylamino)-2-oxo-2H-chromen-4-yl)acetamido)ethyl)disulfanyl)ethyl)-2-(hydroxyimino)propanamide

: 73348-21-7
2-(3-bromo-4-hydroxyphenyl)acetonitrile

Guidance literature:: 3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)propanoic acid; With 1-hydroxy-pyrrolidine-2,5-dione; In N,N-dimethyl-formamide; for 0.0833333h; Inert atmosphere;

With dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

C₁₇H₂₃N₃O₃S₂; With triethylamine; In N,N-dimethyl-formamide; at 30 - 35 ℃; for 43h; Inert atmosphere;
DOI:10.1039/c2ob25909e