3048-48-4

Basic information

• Product Name: Benzothiazole, 4-methyl- (7CI,8CI,9CI)
• Synonyms: Benzothiazole, 4-methyl- (7CI,8CI,9CI);4-methyl-1,3-benzothiazole;4-Methyl-Benzothiazole;Benzothiazole, 4-Methyl-;4-Methylbenzo[d]thiazole
• CAS NO: 3048-48-4
• Molecular Formula: C₈H₇NS
• Molecular Weight: 149.21288
• Product Categories: BENZOTHIAZOLE
• Mol File: 3048-48-4.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 247.944 °C at 760 mmHg
• Flash Point: 108.072 °C
• Appearance: /
• Density: 1.217 g/cm³
• Vapor Pressure: 0.0393mmHg at 25°C
• Refractive Index: 1.663
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.40±0.10(Predicted)
• CAS DataBase Reference: Benzothiazole, 4-methyl- (7CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 4-methyl- (7CI,8CI,9CI)(3048-48-4)
• EPA Substance Registry System: Benzothiazole, 4-methyl- (7CI,8CI,9CI)(3048-48-4)

Safety Data

• Hazardous Substances Data: 3048-48-4(Hazardous Substances Data)

Usage

Description

Benzothiazole, 4-methyl(7CI,8CI,9CI) is an organic compound belonging to the benzothiazole family. It is characterized by the presence of a methyl group at the 4th position on the benzene ring and a sulfur atom in the thiazole ring. Benzothiazole, 4-methyl(7CI,8CI,9CI) is known for its unique chemical properties and potential applications in various industries.

Uses

Used in Pharmaceutical Industry:
Benzothiazole, 4-methyl(7CI,8CI,9CI) is used as an intermediate in the synthesis of 4-Benzothiazoleacetic Acid (B200500) for the development of acyloxyalkyl and aspartyl amidooxyalkyl ketones. These compounds exhibit ICE-inhibiting activities, which are crucial in the pharmaceutical industry for the development of drugs targeting various diseases and conditions.

InChI:InChI=1/C8H7NS/c1-6-3-2-4-7-8(6)9-5-10-7/h2-5H,1H3

Upstream product

• 609-72-3 N,N-dimethyl-o-toluidine 
• 3507-47-9 4-methyl-benzothiazole-2-carboxylic acid 
• 124-38-9 carbon dioxide 
• 76462-17-4 2-methyl 6-mercapto aniline 
• 1477-42-5 4-methyl-1,3-benzothiazol-2-amine 
• 100817-89-8 N-(4-methylbenzothiazol-2-yl)acetamide 
• 6303-21-5 hypophosphorous acid 
• 127-19-5 N,N-dimethyl acetamide 
• 86749-03-3 6,6′-disulfanediylbis(2-methylaniline) 

Downstream Products

• 936827-75-7 benzothiazole-4-methylamine 
• 76462-17-4 2-methyl 6-mercapto aniline 
• 63325-84-8 4-methyl-2-phenylbenzo[d]thiazole 
• 936827-73-5 4-bromomethylbenzothiazole 
• 1448856-31-2 2-(phenylthio)-4-methylbenzo[d]thiazole 
• 1443988-42-8 (4-methylbenzo[d]thiazol-2-yl)(phenyl)methanone 

Relevant articles and documents

Iron-catalyzed tandem oxidative coupling and acetal hydrolysis reaction to prepare formylated benzothiazoles and isoquinolines

The aldehyde group is one of the most versatile intermediates in synthetic chemistry, and the introduction of an aldehyde group into heteroarenes is important for the transformation of molecular structure. Herein, we achieved the direct formylation of benzothiazo/les and isoquinolines. The reaction features a novel iron-catalyzed Minisci-type oxidative coupling process using commercially available 1,3-dioxolane as a formylated reagent followed by acetal hydrolysis without a separation process. The reaction can be performed under exceedingly mild reaction conditions and exhibits broad functional group tolerance.

Synthesis of benzothiazoles from 2-aminobenzenethiols in the presence of a reusable polythiazolium precatalyst under atmospheric pressure of carbon dioxide

Synthesis of benzothiazoles from 2-aminobenzenethiols and carbon dioxide was carried out using poly(3,4-dimethyl-5-vinylthiazolium) iodide as a precatalyst to in situ generation of NHCs by deprotonation. The reaction was successfully carried out under mild conditions (1 atm of CO2 and 60–70 °C) with a broad substrate scope and functional group tolerance. The precatalyst salt was recovered and reused for several times without any loss of activity.

ALFA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS

The invention provides alpha-mimetic structures and a chemical library relating thereto. Additionally, the invention provides methods wherein a-mimetic compounds are used to treat cancer stem cells.