110704-50-2

Basic information

• Product Name: Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-
• Synonyms: Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-;2-(chloroMethyl)-5-(trifluoroMethyl)-Benzothiazole;5-(Trifluoromethyl)-2-(chloromethyl)benzothiazole;2-(Chloromethyl)-5-(trifluoromethyl)-1,3-benzothiazole
• CAS NO: 110704-50-2
• Molecular Formula: C₉H₅ClF₃NS
• Molecular Weight: 251.6559096
• Product Categories: wq
• Mol File: 110704-50-2.mol
• Article Data: 5

Chemical Properties

• Melting Point: 52 °C
• Boiling Point: 283.2±40.0 °C(Predicted)
• Appearance: /
• Density: 1.502±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -0.69±0.10(Predicted)
• CAS DataBase Reference: Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-(110704-50-2)
• EPA Substance Registry System: Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-(110704-50-2)

Safety Data

• Hazardous Substances Data: 110704-50-2(Hazardous Substances Data)

Usage

General Description

Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)- is a chemical compound that contains a benzothiazole ring with a chloromethyl group and a trifluoromethyl group attached to it. It is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)- is also used as a building block in the production of dyes, polymers, and other organic compounds. It has been found to have antimicrobial and antifungal properties, making it potentially useful in the development of new medicines and agrochemicals. Additionally, it is important to handle this compound with care, as the chloromethyl and trifluoromethyl groups can be hazardous to human health and the environment.

Upstream product

• 51076-95-0 2-chloro-1,1,1-triethoxyethane 
• 4274-38-8 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride 
• 19406-49-6 2-amino-4-trifluoromethylthiophenol 

Downstream Products

• 123895-42-1 2-bromomethyl-5-trifluoromethyl-benzothiazole 
• 139402-07-6 3-(5-trifluoromethylbenzothiazol-2-ylmethoxy)benzyl alcohol 
• 1355612-71-3 zopolrestat 
• 1355612-99-5 2-(iodomethyl)-5-(trifluoromethyl)benzo[d]thiazole 
• 140926-49-4 3,4-dihydro-4-oxo-5,6-cyclohexano-3-<<5-(trifluoromethyl)benzothiazol-2-yl>methyl>-1-pyridazineacetic acid 

Relevant articles and documents

Highly selective aldose reductase inhibitors. II. Optimization of the aryl part of 3-(arylmethyl)-2,4,5-trioxoimidazolidine-1-acetic acids

Accumulation of intracellular sorbitol, the product of glucose reduction catalyzed by aldose reductase (AR) [EC 1.1.1.21], is thought to be the main culprit in the development of diabetic complications. A series of 3- arylalkyl-2,4,5-trioxoimidazolidine-1-acetic acids was prepared and tested for inhibitory activities towards AR and aldehyde reductase (ALR) [EC 1.1.1.2]. These derivatives showed strong inhibitory activity against AR without markedly inhibiting ALR. In particular, the compounds with 3- nitrophenyl, 4-chloro-3-nitrophenyl, and chloro-substituted benzothiazolyl groups as the aryl part showed powerful AR-inhibitory activity. The chloro- substituted benzothiazolyl compound showed an AR selectivity of more than 5000 fold.

HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS

A heterocyclic oxophthalazinyl acetic acid having aldose reductast inhibitory activity of the formula, wherein X is oxygen or sulfur; Z is a covalent bond, O, S, NH or CH2 or CHR5Z is vinyl; R1 is hydroxy, or a prodrug group; R2 is a heterocyclic group, R3 and R4 are hydrogen or the same or a different substituent, and R5 is hydrogen, methyl or trifluoromethyl. The pharmaceutically acceptable acid addition salts of the above compounds wherein R1 is di(C1-C4)alkylamino or (C1-C4)alkoxy substituted by N-morpholino or di(Cl-C4)alkylamino and the pharmaceutically active base addition salts of the above compounds wherein R1 is hydroxy are also aldose reductase inhibitors

Process for preparing chloromethyl thiazoles or oxazoles, and intermediates for use therein

Chloromethyl group substituted heterocyclic compounds of the formulae STR1 wherein X is O or S; Y together with the two carbons to which Y is attached forms phenyl, pyridyl or pyrimidyl, each of which may be substituted by R; R is one of iodo or trifluoromethylthio or one or two of fluoro, chloro, bromo, (C1 -C4)alkyl, (C1 -C4)alkoxy, (C1 -C4)alkylthio, (C1 -C4)alkylsulfinyl, (C1 -C4)alkylsulfonyl or trifluoromethyl; and R1 is hydrogen or R, are prepared by reacting a bifunctional compound of the formulae STR2 with a 2-chloro-1,1,1-tri(C1 -C6)alkoxyethane. Most of the compounds of formulae I and II are novel. These compounds are intermediates of use in the preparation of compounds having pharmaceutical activity. The 2-chloro-1,1,1-tri(C1 -C6)alkoxyethanes are prepared from the corresponding tri(C1 -C6)alkoxyethanes by chlorination with N-chlorosuccinimide or with chlorine in pyridine and a chlorohydrocarbon cosolvent.