122500-79-2

Basic information

• Product Name: Benzothiazole, 2-(3-methyl-1H-pyrazol-1-yl)- (9CI)
• Synonyms: Benzothiazole, 2-(3-methyl-1H-pyrazol-1-yl)- (9CI)
• CAS NO: 122500-79-2
• Molecular Formula: C11H9N3S
• Molecular Weight: 215.27426
• Product Categories: BENZOTHIAZOLE
• Mol File: 122500-79-2.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzothiazole, 2-(3-methyl-1H-pyrazol-1-yl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-(3-methyl-1H-pyrazol-1-yl)- (9CI)(122500-79-2)
• EPA Substance Registry System: Benzothiazole, 2-(3-methyl-1H-pyrazol-1-yl)- (9CI)(122500-79-2)

Safety Data

• Hazardous Substances Data: 122500-79-2(Hazardous Substances Data)

Upstream product

• 5436-21-5 acetylacetaldehyde dimethyl acetal 
• 615-21-4 1,3-benzothiazol-2-ylhydrazine 
• 122500-78-1 N-Benzothiazol-2-yl-N'-[3,3-dimethoxy-1-methyl-prop-(E)-ylidene]-hydrazine 

Relevant articles and documents

Synthesis and NMR Spectra of 2-(Pyrazol-1-yl)benzothiazoles: Unambiguous Assignment of 3- and 5-Substituents of Pyrazole Moiety

Condensation of 2-hydrazinobenzothiazoles (1) with acetaldhyde dimethyl acetal (2) yields, depending upon the reaction conditions, either exclusively 2-(3-methylpyrazol-1-yl)benzothiazoles (4) through the intermediacy of the corresponding hydrazones (3), or a mixture of 4 and 2-(5-methylpyrazol-1-yl)benzothiazoles (5).The isomers (4 and 5) are readily distinguishable by their PMR and 13C NMR data. 2-(Pyrazol-1-yl)benzothiazoles (7) are similarly synthesized by condensation of 1 with malonaldehyde bis(dimethylacetal) (6).The methyl(or hydrogen) located at position-5 of the pyrazole moiety gets deshielded because of the lone pair effect of the nitrogen of the benzothiazole ring or due to the ring current.