2-(Trifluoromethyl)benzothiazole

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzothiazole
• CAS No.: 14468-40-7
• Molecular Formula: C8H4F3NS
• Molecular Weight: 203.188
• Hs Code.: 2934999090
• Mol file: 14468-40-7.mol

Synonyms:2-(Trifluoromethyl)benzothiazole;2-(trifluoromethyl)-1,3-benzothiazole;benzothiazole, 2-(trifluoromethyl)-;

Chemical Property of 2-(Trifluoromethyl)benzothiazole

Chemical Property:

• Appearance/Colour: pale yellow brown powder
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 184.7 °C at 760 mmHg
• Flash Point: 65.5 °C
• PSA: 41.13000
• Density: 1.453 g/cm³
• LogP: 3.31510

Purity/Quality:

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

2-(Trifluoromethyl)benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(Trifluoromethyl)benzothiazole

There total 23 articles about 2-(Trifluoromethyl)benzothiazole 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: 99.0%

2-amino-benzenethiol (137-07-5) + trifluoroacetic acid (76-05-1) → 2-(trifluoromethyl)-1,3-benzothiazole (14468-40-7)

Guidance literature:

at 70 ℃; for 16h;

DOI:10.1016/j.tetlet.2012.09.069

Reference yield: 85.0%

2,2,2-trifluoro-N-(2-iodophenyl)acetamide (143321-89-5) → 2-(trifluoromethyl)-1,3-benzothiazole (14468-40-7)

Guidance literature:

2,2,2-trifluoro-N-(2-iodophenyl)acetamide; With sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Schlenk technique; Sealed tube;

With hydrogenchloride; In N,N-dimethyl-formamide; at 20 ℃; for 10h;

DOI:10.1016/j.mcat.2022.112115

Reference yield: 79.0%

2,2,2-Trifluoroacetaldehyde (75-90-1) + 2-amino-benzenethiol (137-07-5) → 2-(trifluoromethyl)-1,3-benzothiazole (14468-40-7)

Guidance literature:

With iron(III) chloride hexahydrate; In water; at 70 ℃; for 1h; Sonication; Green chemistry;

DOI:10.2174/1570180812666141216211045

upstream raw materials:

2-amino-benzenethiol

trifluoroacetic acid

cis-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-penten-2-one

3-chloro-4,4,4-trifluoro-2-phenyl-but-2-enal

Refernces

• 1、 Cai, Mingzhong,Hao, Wenyan,Huang, Wencheng,Ye, Qian. "Recyclable copper-catalyzed cyclization of o-haloanilides and metal sulfides: An efficient and practical access to substituted benzothiazoles". . . Retrieved 2022/01/19.
• 2、 Cantillo, David,Jud, Wolfgang,Kappe, C. Oliver,Maljuric, Snjezana. "Cathodic C-H Trifluoromethylation of Arenes and Heteroarenes Enabled by an in Situ-Generated Triflyltriethylammonium Complex". supporting information. . Retrieved 2019/10/08.