103261-70-7

Basic information

• Product Name: 5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI)
• Synonyms: 5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI);5-Benzothiazolecarboxylicacid,ethylester
• CAS NO: 103261-70-7
• Molecular Formula: C₁₀H₉NO₂S
• Molecular Weight: 207.252
• Product Categories: BENZOTHIAZOLE
• Mol File: 103261-70-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 322.7±15.0 °C(Predicted)
• Appearance: /
• Density: 1.290±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -0.05±0.10(Predicted)
• CAS DataBase Reference: 5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI)(103261-70-7)
• EPA Substance Registry System: 5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI)(103261-70-7)

Safety Data

• Hazardous Substances Data: 103261-70-7(Hazardous Substances Data)

Usage

General Description

5-Benzothiazolecarboxylic acid, ethyl ester is a chemical compound that belongs to the benzothiazolecarboxylic acid esters class. It has the molecular formula C11H9NO2S and a molecular weight of 223.26 g/mol. This chemical is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and dyes. It has also been reported to possess anticancer and antimicrobial properties. Additionally, it is known for its use as a fluorescence indicator, making it valuable in laboratory research and diagnostic applications. The ethyl ester form of 5-Benzothiazolecarboxylic acid increases its solubility and ease of handling in various chemical reactions, making it a versatile compound in synthetic chemistry.

Upstream product

• 140-88-5 ethyl acrylate 
• 206662-96-6 4,5-bis(dibromomethyl)thiazole 
• 49568-47-0 3,3'-dinitro-4,4'-disulfanediyl-di-benzoic acid diethyl ester 
• 64-18-6 formic acid 

Downstream Products

• 68867-17-4 1,3-benzothiazole-5-carboxylic acid 
• 394223-38-2 1,3-benzothiazole-5-carbaldehyde 
• 103040-92-2 2-amino-5-ethoxycarbonylbenzothiazole 

Relevant articles and documents

Generation and Diels-Alder trapping of 4,5-bis(bromomethylene)-4,5-dihydrothiazole

Treatment of 4,5-bis(dlbromomethyl)thiazole (1a) with sodium iodide in DMF led to 4,5-bis(bromomethylene)-4,5-dihydrothiazole (2a). Trapping the latter in situ with dienophiles afforded directly the aromatized cycloadducts. Starting with 5-hydroxynaphthoquinone or its 2- and 3-bromo derivatives 6 gave a mixture of the tetracyclic quinones 10 + 11 from which the 1,6-regioisomer 10 predominates. Using acrylate dienophiles gave 6-substituted benzothiazoles 13 as the major products. The regiochemistry of the cycloadditions between 2a and naphthoquinones 6 agrees with the predictions of the frontier molecular orbital theory. In contrast, the regioselectivity observed from 2a and acrylate dienophiles 12, similar to that previously obtained with 5-bromomethylene-4-methylene-4,5-dihydrothiazole (2b), is opposite to that predicted and could be better accomodated by a competitive Michael addition followed by a cyclization-elimination step.

INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF

The present invention relates generally to the field of ligands for nicotinic acetylcholine receptors (nAChR), activation of nAChRs, and the treatment of disease conditions associated with defective or malfunctioning nicotinic acetylcholine receptors, especially of the brain. Further, this invention relates to novel compounds (indazoles and benzothiazoles), which act as ligands for the α7 nAChR subtype, methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.