Benzeneacetonitrile, alpha,4-difluoro- (9CI)

Base Information

• Chemical Name: Benzeneacetonitrile, alpha,4-difluoro- (9CI)
• CAS No.: 130754-18-6
• Molecular Formula: C8H5 F2 N
• Molecular Weight: 153.1288064
• Mol file: 130754-18-6.mol

Synonyms:a,4-Difluorophenylacetonitrile

Chemical Property of Benzeneacetonitrile, alpha,4-difluoro- (9CI)

Chemical Property:

• PSA: 23.79000
• LogP: 2.35988

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzeneacetonitrile, alpha,4-difluoro- (9CI)

There total 2 articles about Benzeneacetonitrile, alpha,4-difluoro- (9CI) 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: 82.0%

4-fluorophenylacetonitrile (459-22-3) → 4,α-Difluorophenylacetonitrile (130754-18-6)

Guidance literature:

With pyridine; hydrogen fluoride; at 25 ℃; for 3.79h; electrochemical synthesis: Pt electrodes, applied potential 2.21 V, frequency square wave alternating current of 0.033 Hz, passed charge of 2.25 F mol^-1;

DOI:10.1016/0022-1139(95)03379-3

Reference yield:

phenylacetonitrile (140-29-4) → 4,α-Difluorophenylacetonitrile (130754-18-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N*3HF / tetrahydrothiophene 1,1-dioxide / 50 °C / electrolysis

2: Et₃N*3HF / acetonitrile / 50 °C / electrolysis

With triethylamine tris(hydrogen fluoride); In sulfolane; acetonitrile;

DOI:10.1016/S0022-1139(00)80368-1

upstream raw materials:

4-fluorophenylacetonitrile

phenylacetonitrile

Refernces

• 1、 Laurent, Eliane,Marquet, Bernard,Tardivel, Robert. "ELECTRFLUORATION EN POSITION BENZYLIQUE DANS LE SULFOLANE". . p. 115 - 126. Retrieved 2007/10/02.