Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-

Base Information

• Chemical Name: Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-
• CAS No.: 110704-50-2
• Molecular Formula: C9H5ClF3NS
• Molecular Weight: 251.66
• Hs Code.: 2934200090
• Mol file: 110704-50-2.mol

Synonyms:Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-;2-(chloroMethyl)-5-(trifluoroMethyl)-Benzothiazole;5-(Trifluoromethyl)-2-(chloromethyl)benzothiazole

Chemical Property of Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-

Chemical Property:

• Melting Point: 52 °C
• Boiling Point: 283.2±40.0 °C(Predicted)
• PKA: -0.69±0.10(Predicted)
• PSA: 41.13000
• Density: 1.502±0.06 g/cm3(Predicted)
• LogP: 4.05390
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-Chloromethyl-5-trifluoromethyl-benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-

There total 3 articles about Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)- 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: 90.0%

2-chloro-1,1,1-triethoxyethane (51076-95-0) + 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride (4274-38-8) → 5-trifluoromethyl-2-chloromethylbenzothiazole (110704-50-2)

Guidance literature:

In ethanol; at 60 ℃; for 1h;

Reference yield:

2-chloro-1,1,1-triethoxyethane (51076-95-0) + 2-amino-4-trifluoromethylthiophenol (19406-49-6) → 5-trifluoromethyl-2-chloromethylbenzothiazole (110704-50-2)

Guidance literature:

DOI:10.1021/jm00105a018

Reference yield:

→ 5-trifluoromethyl-2-chloromethylbenzothiazole (110704-50-2)

Guidance literature:

upstream raw materials:

2-chloro-1,1,1-triethoxyethane

2-amino-4-trifluoromethylthiophenol

2-amino-4-(trifluoromethyl)benzenethiol hydrochloride

Downstream raw materials:

2-bromomethyl-5-trifluoromethyl-benzothiazole

3,4-dihydro-4-oxo-5,6-cyclohexano-3-<<5-(trifluoromethyl)benzothiazol-2-yl>methyl>-1-pyridazineacetic acid

3-(5-trifluoromethylbenzothiazol-2-ylmethoxy)benzyl alcohol

zopolrestat