4-(DIFLUOROMETHOXY)BENZONITRILE

Base Information

• Chemical Name: 4-(DIFLUOROMETHOXY)BENZONITRILE
• CAS No.: 55805-10-2
• Molecular Formula: C8H5 F2 N
• Molecular Weight: 153.131
• Hs Code.: 2926909090
• Mol file: 55805-10-2.mol

Synonyms:4-(Difluoromethyl)benzonitrile;a,a-Difluoro-p-tolunitrile

Chemical Property of 4-(DIFLUOROMETHOXY)BENZONITRILE

Chemical Property:

• Vapor Pressure: 0.0302mmHg at 25°C
• Boiling Point: 244.6°C at 760 mmHg
• Flash Point: 101.7°C
• PSA: 33.02000
• Density: 1.26g/cm³
• LogP: 2.15968
• Storage Temp.: Refrigerator
• Solubility.: Dichloromethane, Ethyl Acetate

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(Difluoromethyl)benzonitrile can be used as a reagent in the preparation of furanone dipeptides.

Technology Process of 4-(DIFLUOROMETHOXY)BENZONITRILE

There total 41 articles about 4-(DIFLUOROMETHOXY)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: 89.0%

[bis(difluoromethyl)zinc(dmpu)2] + 4-cyanobenzoyl chlorIde (6068-72-0) → 4-cyano-1-difluoromethylbenzene (55805-10-2)

Guidance literature:

With bis(dibenzylideneacetone)-palladium⁽⁰⁾; ruphos; In 1,4-dioxane; at 23 ℃; for 1h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201811139

Reference yield: 85.0%

4-cyanobenzaldehyde (105-07-7) → 4-cyano-1-difluoromethylbenzene (55805-10-2)

Guidance literature:

4-cyanobenzaldehyde; With Nonafluorobutanesulfonyl fluoride; tetramethylammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.00833333h; Inert atmosphere; Glovebox;

In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/ijch.201900066

Reference yield: 80.0%

4-iodobenzonitrile (3058-39-7) + [bis(difluoromethyl)zinc(dmpu)2] → 4-cyano-1-difluoromethylbenzene (55805-10-2)

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:

4-cyanobenzaldehyde

4-(hydrazonomethyl)benzonitrile

lead(IV) oxide

para-methylbenzonitrile

Downstream raw materials:

4-(difluoromethyl)benzoic acid

(4-(difluoromethyl)phenyl)methanamine

4-CF₃C₆H₄CN

para-methylbenzonitrile

Refernces

• 1、 -. "METHOD AND REAGENT FOR DEOXYFLUORINATION". Paragraph 0148-0150; 0152. . Retrieved 2021/05/29.
• 2、 Zou, Zhenlei,Li, Heyin,Huang, Mengjun,Zhang, Weigang,Zhi, Sanjun,Wang, Yi,Pan, Yi. "Electrochemical-Promoted Nickel-Catalyzed Oxidative Fluoroalkylation of Aryl Iodides". supporting information. p. 8252 - 8256. Retrieved 2021/11/01.