73931-63-2

Basic information

• Product Name: 6-Benzothiazolecarboxylicacid,methylester(9CI)
• Synonyms: 6-Benzothiazolecarboxylicacid,methylester(9CI);6-Benzothiazolecarboxylic acid methyl ester;6-Benzo[d]thiazolecarboxylica acid methyl ester, 97%
• CAS NO: 73931-63-2
• Molecular Formula: C₉H₇NO₂S
• Molecular Weight: 193.22
• Product Categories: BENZOTHIAZOLE
• Mol File: 73931-63-2.mol
• Article Data: 6

Chemical Properties

• Melting Point: 106-107 °C
• Boiling Point: 309.9±15.0 °C(Predicted)
• Appearance: /
• Density: 1.340±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -0.35±0.10(Predicted)
• CAS DataBase Reference: 6-Benzothiazolecarboxylicacid,methylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Benzothiazolecarboxylicacid,methylester(9CI)(73931-63-2)
• EPA Substance Registry System: 6-Benzothiazolecarboxylicacid,methylester(9CI)(73931-63-2)

Safety Data

• Hazardous Substances Data: 73931-63-2(Hazardous Substances Data)

Usage

General Description

6-Benzothiazolecarboxylic acid, methyl ester (9CI) is a chemical compound with the molecular formula C10H3NO2S. It is a methyl ester derivative of 6-benzothiazolecarboxylic acid. 6-Benzothiazolecarboxylicacid,methylester(9CI) is a white to light yellow crystalline powder and is soluble in organic solvents. It is commonly used in the synthesis of pharmaceuticals and other organic compounds. Additionally, it has been studied for its potential applications in the field of materials science, including its use as a photoinitiator in the production of polymers and as a fluorescent dye in fluorescent probes and sensors. Furthermore, it has been assessed for its potential biological activities and therapeutic effects. However, it is important to note that 6-Benzothiazolecarboxylic acid, methyl ester (9CI) should be handled and used with care, as it may have potential hazards and health risks associated with its use.

Upstream product

• 3622-35-3 benzothiazole-6-carboxylic acid 
• 67-56-1 methanol 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 186581-53-3 diazomethane 

Downstream Products

• 66947-92-0 2-aminobenzo[d]thiazole-6-carboxylic acid methyl ester 
• 19989-67-4 1,3-benzothiazole-6-carboxyaldehyde 
• 19989-66-3 (1,3-benzothiazol-6-yl)methanol 
• 7025-27-6 2-amino-5-methoxycarbonylthiophenol 

Relevant articles and documents

Dual Photoredox/Cobaloxime Catalysis for Cross-Dehydrogenative α-Heteroarylation of Amines

We report a dual-catalytic platform for the cross-dehydrogenative-coupling between (benzo-)thiazoles and amines which combines low loadings of an iridium photoredox catalyst and a cobaloxime catalyst under blue light irradiation. This transformation occurs without stoichiometric oxidants, giving products in moderate to excellent yields. DFT calculations support the key role of Co(II) for rearomatization of the radical-addition intermediate to generate the product.

NONPEPTIDIC INHIBITORS OF CRUZAIN

Cruzain is the major cysteine protease of T. cruzi, which is the causative agent of Chagas' disease and is a promising target for the development of new chemotherapy. With the goal of developing potent nonpeptidic inhibitors of cruzain, the Substrate Activity Screening (SAS) method was used to screen a library of protease substrates initially designed to target the homologous human protease cathepsin S. Structure-based design was next used to further improve substrate cleavage efficiency by introducing additional binding interactions in the S3 pocket of cruzain. The optimized substrates were then converted to inhibitors by the introduction of cysteine protease mechanism-based pharmacophores. Inhibitor (38) was determined to be reversible even though it incorporated the vinyl sulfone pharmacophore that is well documented to give irreversible cruzain inhibition for peptidic inhibitors. The previously unexplored β-chloro vinyl sulfone pharmacophore provided mechanistic insight that led to the development of potent irreversible acyl- and aryl- oxymethyl ketone cruzain inhibitors. For these inhibitors, potency did not solely depend on leaving group pTa, with 2,3,5,6-tetrafluorophenoxy methyl ketone (54) identified as one of the most potent inhibitors with a second order inactivation constant of 147,000 s-1M-1. This inhibitor completely eradicated the T. cruzi parasite from mammalian cell cultures and consequently has the potential to lead to new chemo therapeutics for Chagas' disease.

Heterocyclic antiviral compounds

Compounds having the formula I wherein A, m and R1 are herein defined are Hepatitis C virus polymerase inhibitors. Also disclosed are compositions and methods for treating diseases mediated by HCV and for inhibiting hepatitis replication. Also disclosed are processes for making the compounds and synthetic intermediates used in the process