24851-69-2

Basic information

• Product Name: 5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI)
• Synonyms: 5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI);2-methyl-1,3-benzothiazole-5-carboxylic acid(SALTDATA: FREE);2-Methylbenzo[d]thiazole-5-carboxylic acid;2-Methyl-1,3-benzothiazole-5-carboxylic Acid;2-Methyl-benzothiazole-5-carboxylic acid, >=98%;2-Methyl-Benzothiazole-5-Carboxylic Acid(WX614018)
• CAS NO: 24851-69-2
• Molecular Formula: C₉H₇NO₂S
• Molecular Weight: 193.225
• Product Categories: BENZOTHIAZOLE
• Mol File: 24851-69-2.mol

Chemical Properties

• Melting Point: 202 °C
• Boiling Point: 385.2°C at 760 mmHg
• Flash Point: 186.8°C
• Appearance: /
• Density: 1.43g/cm³
• Vapor Pressure: 1.27E-06mmHg at 25°C
• Refractive Index: 1.702
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.61±0.30(Predicted)
• CAS DataBase Reference: 5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI)(24851-69-2)
• EPA Substance Registry System: 5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI)(24851-69-2)

Safety Data

• Hazardous Substances Data: 24851-69-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-Benzothiazolecarboxylic acid, 2-methyl-(8CI,9CI) is used as an intermediate in the synthesis of various pharmaceuticals for its ability to be incorporated into complex molecular structures. Its unique chemical properties allow it to contribute to the development of new drugs with specific therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Benzothiazolecarboxylic acid, 2-methyl-(8CI,9CI) is utilized as a building block in the creation of agrochemicals, such as pesticides and herbicides. Its chemical versatility enables the development of compounds that can effectively control pests and weeds, thereby enhancing crop protection and yield.
Used in Materials Science:
5-Benzothiazolecarboxylic acid, 2-methyl-(8CI,9CI) is employed in materials science for its potential to be integrated into the development of new materials with specific properties. Its chemical structure can be manipulated to create materials with tailored characteristics for various applications, such as in the production of polymers, dyes, or other specialty chemicals.
Used in Organic Chemistry Research:
As a versatile intermediate, 5-Benzothiazolecarboxylic acid, 2-methyl-(8CI,9CI) is also used in organic chemistry research for exploring new synthetic pathways and reactions. Its unique structure provides a platform for chemists to investigate novel chemical transformations and mechanisms, potentially leading to the discovery of new compounds and applications.

InChI:InChI=1/C9H7NO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4H,1H3,(H,11,12)

Upstream product

• 32770-98-2 2-methyl-5-benzothiazolecarxylic acid methyl ester 

Downstream Products

• 1193343-74-6 [(2-methylbenzothiazole-5-carbonyl)-(S)-amino]phenylacetic acid methyl ester 
• 1203661-72-6 N-[1-(4-trifluoromethoxylphenyl)-1H-4,5,6,7-tetrahydroindazol-4-yl]-2-methylbenzothiazole-5-carboxamide 
• 20077-87-6 1-(2-methylbenzo[d]thiazol-5-yl)ethan-1-ol 
• 895131-39-2 2-hydroxymethyl-1,3-benzothiazole-5-carboxylic acid 
• 32770-98-2 2-methyl-5-benzothiazolecarxylic acid methyl ester 
• 20061-46-5 2-methyl-1,3-benzothiazole-5-carbaldehyde 
• 32770-97-1 (2-methyl-1,3-benzothiazol-5-yl)methanol 

Relevant articles and documents

Discovery of a novel 2,3-dimethylimidazo[1,2-a]pyrazine-6-carboxamide M4 positive allosteric modulator (PAM) chemotype

This Letter details our efforts to discover structurally unique M4 PAMs containing 5,6-heteroaryl ring systems. In an attempt to improve the DMPK profiles of the 2,3-dimethyl-2H-indazole-5-carboxamide and 1-methyl-1H-benzo[d][1,2,3]triazole-6-carboxamide cores, we investigated a plethora of core replacements. This exercise identified a novel 2,3-dimethylimidazo[1,2-a]pyrazine-6-carboxamide core that provided improved M4 PAM activity and CNS penetration.