4-(1,1-Difluoroethyl)benzonitrile

Base Information

• Chemical Name: 4-(1,1-Difluoroethyl)benzonitrile
• CAS No.: 55805-05-5
• Molecular Formula: C9H7F2N
• Molecular Weight: 167.158
• Hs Code.: 2926907090
• Mol file: 55805-05-5.mol

Synonyms:4-(1,1-Difluoroethyl)benzonitrile

Chemical Property of 4-(1,1-Difluoroethyl)benzonitrile

Chemical Property:

• Boiling Point: 235.8±35.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 2.66998

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(1,1-Difluoroethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(1,1-Difluoroethyl)benzonitrile

There total 2 articles about 4-(1,1-Difluoroethyl)benzonitrile 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: 100.0%

4-cyanophenyl methyl ketone (1443-80-7) → 4-(1,1-difluoroethyl)benzonitrile (55805-05-5)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at 50 ℃; for 20h;

Reference yield: 21.0%

1,1-difluoro-1-iodoethane (420-47-3) + C7H4ClNZn*C6H16N2 → 4-(1,1-difluoroethyl)benzonitrile (55805-05-5)

Guidance literature:

1,1-difluoro-1-iodoethane; With trans-N,N,N′,N′-tetramethylcyclohexane-1,2-diamine; cobalt(II) chloride; In tetrahydrofuran; diethylene glycol dimethyl ether; at 20 ℃; for 0.5h; Inert atmosphere;

C₇H₄ClNZn*C₆H₁₆N₂; With C₉H₉ClO₂Zn*C₆H₁₆N₂; In tetrahydrofuran; diethylene glycol dimethyl ether; at 40 ℃; for 15h; Inert atmosphere;

Reference yield: 78.0%

4-(1,1-difluoroethyl)benzonitrile (55805-05-5) → [4-(1,1-difluoroethyl)phenyl]methanamine (790601-53-5)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 1.66667h; Reflux;

upstream raw materials:

4-cyanophenyl methyl ketone

1,1-difluoro-1-iodoethane

Downstream raw materials:

4-(1,1-difluoroethyl)benzaldehyde

4-(1,1-difluoroethyl)benzoic acid

para α,α-difluoro ethyl benzamide

[4-(1,1-difluoroethyl)phenyl]methanamine

Refernces

• 1、 -. "COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES". Paragraph 00717-00718. . Retrieved 2019/03/12.
• 2、 -. "SUBSTITUTED CARBOXAMIDES". Page/Page column 25. . Retrieved 2008/12/08.