(3-Fluoro-4,5-dihydroxyphenyl)acetonitrile

Base Information

Chemical Name:(3-Fluoro-4,5-dihydroxyphenyl)acetonitrile
CAS No.:104716-76-9
Molecular Formula:C8H6 F N O2
Molecular Weight:167.14
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90547595
Wikidata:Q82425900
Mol file:104716-76-9.mol

Synonyms:104716-76-9;2-(3-Fluoro-4,5-dihydroxyphenyl)acetonitrile;Benzeneacetonitrile, 3-fluoro-4,5-dihydroxy-;(3-Fluoro-4,5-dihydroxyphenyl)acetonitrile;Benzeneacetonitrile,3-fluoro-4,5-dihydroxy-;3,4-Dihydroxy-5-fluorobenzylcyanide;SCHEMBL10493585;DTXSID90547595;DIRVCCSWUIVMNS-UHFFFAOYSA-N

Suppliers and Price of (3-Fluoro-4,5-dihydroxyphenyl)acetonitrile

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-Fluoro-4,5-dihydroxyphenyl)acetonitrile

Chemical Property:

PSA：64.25000
LogP:1.30298
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:167.03825660
Heavy Atom Count:12
Complexity:201

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C(=C1O)O)F)CC#N

Technology Process of (3-Fluoro-4,5-dihydroxyphenyl)acetonitrile

There total 4 articles about (3-Fluoro-4,5-dihydroxyphenyl)acetonitrile 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: 90.1%

: 104716-74-7
3-methoxy-4-hydroxy-5-fluorobenzyl cyanide

: 104716-76-9
3,4-dihydroxy-5-fluorobenzyl cyanide

Guidance literature:: With boron tribromide; In dichloromethane; at 25 ℃; for 18h;
DOI:10.1021/jm00384a015

Reference yield:

: 3-methoxy-4-hydroxy-5-fluorobenzylnitrile

: 104716-76-9
3,4-dihydroxy-5-fluorobenzyl cyanide

Guidance literature:: With boron tribromide; In dichloromethane; ethyl acetate;

Reference yield:

: 103905-49-3
5-<(dimethylamino)methyl>-1-fluoro-2-hydroxy-3-methoxybenzene

: 104716-76-9
3,4-dihydroxy-5-fluorobenzyl cyanide

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) MeI / 1.) CHCl₃, 25 deg C, 18 h, 2.) DMSO, 25 deg C, 7 h

2: 90.1 percent / BBr₃ / CH₂Cl₂ / 18 h / 25 °C

With boron tribromide; methyl iodide; In dichloromethane;
DOI:10.1021/jm00384a015