(2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetonitrile

Base Information

Chemical Name:(2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetonitrile
CAS No.:61150-43-4
Molecular Formula:C₁₅H₉ClF₃NS
Molecular Weight:327.757
Hs Code.:
DSSTox Substance ID:DTXSID00495018
Wikidata:Q82342850

Synonyms:(2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetonitrile;61150-43-4;SCHEMBL11487521;DTXSID00495018;AMRSHQSZVHXFGU-UHFFFAOYSA-N

Suppliers and Price of (2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetonitrile

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetonitrile

Chemical Property:

XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:327.0096326
Heavy Atom Count:21
Complexity:392

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CC#N)SC2=CC(=C(C=C2)Cl)C(F)(F)F

Technology Process of (2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)acetonitrile

There total 6 articles about (2-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfanyl}phenyl)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:

: 88-67-5
2-Iodobenzoic acid

: 61150-43-4
2-(3-trifluoromethyl-4-chlorophenylthio)phenylacetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: aq. KOH, Cu

2: NaBH₄, BF₃-Et₂O

3: SOCl₂, Py

With pyridine; potassium hydroxide; sodium tetrahydroborate; thionyl chloride; boron trifluoride diethyl etherate; copper;
DOI:10.1135/cccc19771705

Reference yield:

: 61150-41-2
[2-(4-Chloro-3-trifluoromethyl-phenylsulfanyl)-phenyl]-methanol

: 61150-43-4
2-(3-trifluoromethyl-4-chlorophenylthio)phenylacetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂, Py

With pyridine; thionyl chloride;
DOI:10.1135/cccc19771705

Reference yield:

: 18800-22-1
4-chloro-3-(trifluoromethyl)benzenethiol

: 61150-43-4
2-(3-trifluoromethyl-4-chlorophenylthio)phenylacetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: aq. KOH, Cu

2: NaBH₄, BF₃-Et₂O

3: SOCl₂, Py

With pyridine; potassium hydroxide; sodium tetrahydroborate; thionyl chloride; boron trifluoride diethyl etherate; copper;
DOI:10.1135/cccc19771705