2-difluoromethylbenzonitrile

Base Information

• Chemical Name: 2-difluoromethylbenzonitrile
• CAS No.: 799814-30-5
• Molecular Formula: C8H5F2N
• Molecular Weight: 153.12900
• Hs Code.: 2926909090
• Mol file: 799814-30-5.mol

Synonyms:2-(Difluoromethyl)benzonitrile;

Chemical Property of 2-difluoromethylbenzonitrile

Chemical Property:

• Boiling Point: 233.7±35.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 2.49588
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-(Difluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-difluoromethylbenzonitrile

There total 10 articles about 2-difluoromethylbenzonitrile 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: 73.0%

bromodifluoromethane (1511-62-2) + o-cyanobromobenzene (2042-37-7) → 2-(difluoromethyl)benzonitrile (799814-30-5)

Guidance literature:

o-cyanobromobenzene; With 2,6-dimethylpyridine; tris-(trimethylsilyl)silane; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine; In 1,2-dimethoxyethane; for 0.25h; Inert atmosphere;

bromodifluoromethane; In 1,2-dimethoxyethane; at 30 ℃; for 18h; Sealed tube; Irradiation; Inert atmosphere;

DOI:10.1002/anie.201807629

Reference yield: 65.0%

2-iodobenzonitrile (4387-36-4) + tributyl(difluoromethyl)stannane (1438388-96-5) → 2-(difluoromethyl)benzonitrile (799814-30-5)

Guidance literature:

With potassium fluoride; copper(l) iodide; In N,N-dimethyl acetamide; at 100 ℃; for 24h; Inert atmosphere; Glovebox; Darkness;

DOI:10.1002/anie.201205850

Reference yield: 60.0%

2-iodobenzonitrile (4387-36-4) + [bis(difluoromethyl)zinc(dmpu)2] → 2-(difluoromethyl)benzonitrile (799814-30-5)

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; copper(l) iodide; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01733

upstream raw materials:

o-formylbenzonitrile

2-cyanobenzenedifluoroacetic acid

ethyl 2-(2-cyanophenyl)-2,2-difluoroacetate

2-iodobenzonitrile

Downstream raw materials:

2-(difluoromethyl)benzoic acid