{5-Fluoro-2-[(4-fluorophenyl)sulfanyl]-1-benzothiophen-3-yl}acetonitrile

Base Information

Chemical Name:{5-Fluoro-2-[(4-fluorophenyl)sulfanyl]-1-benzothiophen-3-yl}acetonitrile
CAS No.:820975-39-1
Molecular Formula:C16H9F2NS2
Molecular Weight:317.383
Hs Code.:
DSSTox Substance ID:DTXSID40692842
Wikidata:Q82621878

Synonyms:820975-39-1;{5-Fluoro-2-[(4-fluorophenyl)sulfanyl]-1-benzothiophen-3-yl}acetonitrile;SCHEMBL6504816;DTXSID40692842

Suppliers and Price of {5-Fluoro-2-[(4-fluorophenyl)sulfanyl]-1-benzothiophen-3-yl}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 1 raw suppliers

Chemical Property of {5-Fluoro-2-[(4-fluorophenyl)sulfanyl]-1-benzothiophen-3-yl}acetonitrile

Chemical Property:

XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:317.01444796
Heavy Atom Count:21
Complexity:402

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1F)SC2=C(C3=C(S2)C=CC(=C3)F)CC#N

Technology Process of {5-Fluoro-2-[(4-fluorophenyl)sulfanyl]-1-benzothiophen-3-yl}acetonitrile

There total 4 articles about {5-Fluoro-2-[(4-fluorophenyl)sulfanyl]-1-benzothiophen-3-yl}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: 70.0%

: 773837-37-9
sodium cyanide

: 820975-37-9
3-(bromomethyl)-5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophene

: 820975-39-1
2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)acetonitrile

Guidance literature:: In dimethyl sulfoxide; at 20 ℃; for 1h;
DOI:10.1016/j.ejmech.2011.02.044

Reference yield:

: 371-42-6
4-Fluorothiophenol

: 820975-39-1
2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: sodium hydroxide / water / 1 h / 0 °C

2: polyphosphoric acid / 1 h / 80 °C

3: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 4 h / Reflux; Irradiation

4: dimethyl sulfoxide / 1 h / 20 °C

With N-Bromosuccinimide; sodium hydroxide; dibenzoyl peroxide; In tetrachloromethane; water; dimethyl sulfoxide;
DOI:10.1016/j.ejmech.2011.02.044

Reference yield:

: 2968-13-0
1-(4-fluoro-phenylsulfanyl)propan-2-one

: 820975-39-1
2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: polyphosphoric acid / 1 h / 80 °C

2: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 4 h / Reflux; Irradiation

3: dimethyl sulfoxide / 1 h / 20 °C

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; dimethyl sulfoxide;
DOI:10.1016/j.ejmech.2011.02.044