3-(2,6-Difluorophenyl)propanenitrile

Base Information

Chemical Name:3-(2,6-Difluorophenyl)propanenitrile
CAS No.:1057676-37-5
Molecular Formula:C₉H₇F₂N
Molecular Weight:167.158
Hs Code.:
DSSTox Substance ID:DTXSID101298863

Synonyms:3-(2,6-DIFLUOROPHENYL)PROPANENITRILE;1057676-37-5;SCHEMBL14375354;2,6-Difluorobenzenepropanenitrile;DTXSID101298863;AKOS006330169;CS-0305755;EN300-1840079

Suppliers and Price of 3-(2,6-Difluorophenyl)propanenitrile

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
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price

Total 1 raw suppliers

Chemical Property of 3-(2,6-Difluorophenyl)propanenitrile

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.05465555
Heavy Atom Count:12
Complexity:174

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 3-(2,6-Difluorophenyl)propanenitrile

There total 3 articles about 3-(2,6-Difluorophenyl)propanenitrile 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: 81.0%

: 3-(2,6-difluorophenyl)-2-(phenylsulfonyl)propanenitrile

: 1057676-37-5
3-(2,6-difluorophenyl)propanenitrile

Guidance literature:: With chloro-trimethyl-silane; bis(pentamethylcyclopentadienyl)titanium dichloride; 2,4,6-collidine hydrochloride; zinc(II) chloride; zinc; In toluene; at 110 ℃; for 24h; Inert atmosphere; Sealed tube;
DOI:10.1002/chem.202005400

Reference yield:

: 437-81-0
2,6-difluorobenzaldehyde

: 1057676-37-5
3-(2,6-difluorophenyl)propanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1: diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; diethylamine / ethanol / 16 h / 23 °C

2: 2,4,6-collidine hydrochloride; bis(pentamethylcyclopentadienyl)titanium dichloride; zinc; zinc(II) chloride; chloro-trimethyl-silane / toluene / 24 h / 110 °C / Inert atmosphere; Sealed tube

With chloro-trimethyl-silane; bis(pentamethylcyclopentadienyl)titanium dichloride; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 2,4,6-collidine hydrochloride; diethylamine; zinc(II) chloride; zinc; In ethanol; toluene;
DOI:10.1002/chem.202005400