2,4-DIFLUOROPHENACYL THIOCYANATE

Base Information

• Chemical Name: 2,4-DIFLUOROPHENACYL THIOCYANATE
• CAS No.: 887625-49-2
• Molecular Formula: C9H5F2NOS
• Molecular Weight: 213.208
• Hs Code.: 2930909090
• Mol file: 887625-49-2.mol

Synonyms:2,4,6-TRIMETHOXY-BENZAMIDINE HYDROCHLORIDE;2,4-Difluorophenacyl thiocyanate;[2-(2,4-difluorophenyl)-2-oxoethyl]thiocarbonitrile;1-(2,4-difluorophenyl)-2-thiocyanatoethanone;

Chemical Property of 2,4-DIFLUOROPHENACYL THIOCYANATE

Chemical Property:

• Vapor Pressure: 9.54E-05mmHg at 25°C
• Boiling Point: 338.9oC at 760 mmHg
• Flash Point: 158.7oC
• PSA: 66.16000
• Density: 1.391g/cm3
• LogP: 2.36178

Purity/Quality:

97% ^*data from raw suppliers

2,4-Difluorophenacyl thiocyanate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4-DIFLUOROPHENACYL THIOCYANATE

There total 2 articles about 2,4-DIFLUOROPHENACYL THIOCYANATE 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: 75.0%

2-bromo-2',4'-difluoroacetophenone (102429-07-2) + potassium thioacyanate (333-20-0) → 1-(2,4-difluorophenyl)-2-thiocyanatoethanone (887625-49-2)

Guidance literature:

In ethanol; at 80 ℃; for 3h;

DOI:10.1016/j.bmc.2012.11.006

Reference yield: 52.0%

2,4-difluorobenzaldehyde (399-53-1) + ammonium thiocyanate (1147550-11-5) → 1-(2,4-difluorophenyl)-2-thiocyanatoethanone (887625-49-2)

Guidance literature:

With oxygen; In ethanol; at 25 ℃;

Reference yield: 74.0%

1-(2,4-difluorophenyl)-2-thiocyanatoethanone (887625-49-2) → 2-bromo-4-(2,4-difluorophenyl)thiazole (887625-50-5)

Guidance literature:

With hydrogen bromide; In acetic acid; at 130 ℃; for 3h;

DOI:10.1016/j.bmc.2012.11.006

upstream raw materials:

2-bromo-2',4'-difluoroacetophenone

potassium thioacyanate

2,4-difluorobenzaldehyde

ammonium thiocyanate

Downstream raw materials:

4-(2,4-difluorophenyl)-2-(piperazin-1-yl)thiazole

4-(4-(2,4-difluorophenyl)thiazol-2-yl)-N-(3,4-dimethylisoxazol-5-yl)piperazine-1-carboxamide

2-bromo-4-(2,4-difluorophenyl)thiazole

tert-butyl 4-[4-(2,4-difluorophenyl)thiazol-2-yl]piperazine-1-carboxylate

Refernces

• 1、 Kono, Mitsunori,Matsumoto, Takahiro,Kawamura, Toru,Nishimura, Atsushi,Kiyota, Yoshihiro,Oki, Hideyuki,Miyazaki, Junichi,Igaki, Shigeru,Behnke, Craig A.,Shimojo, Masato,Kori, Masakuni. "Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors". . p. 28 - 41. Retrieved 2013/02/22.