99845-70-2

Basic information

• Product Name: 2-BENZOTHIAZOL-2-YL-5-METHYL-2H-PYRAZOL-3-YLAMINE
• Synonyms: ASINEX-REAG BAS 01262682;2-BENZOTHIAZOL-2-YL-5-METHYL-2H-PYRAZOL-3-YLAMINE;[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amine;1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-amine;2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolamine;2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-amine;2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
• CAS NO: 99845-70-2
• Molecular Formula: C11H10N4S
• Molecular Weight: 230.29
• Mol File: 99845-70-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 465.7°Cat760mmHg
• Flash Point: 235.5°C
• Appearance: /
• Density: 1.48g/cm³
• Vapor Pressure: 7.5E-09mmHg at 25°C
• Refractive Index: 1.784
• CAS DataBase Reference: 2-BENZOTHIAZOL-2-YL-5-METHYL-2H-PYRAZOL-3-YLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BENZOTHIAZOL-2-YL-5-METHYL-2H-PYRAZOL-3-YLAMINE(99845-70-2)
• EPA Substance Registry System: 2-BENZOTHIAZOL-2-YL-5-METHYL-2H-PYRAZOL-3-YLAMINE(99845-70-2)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 99845-70-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H10N4S/c1-7-6-10(12)15(14-7)11-13-8-4-2-3-5-9(8)16-11/h2-6H,12H2,1H3

Upstream product

• 1001-56-5 buta-2,3-dienenitrile 
• 615-21-4 1,3-benzothiazol-2-ylhydrazine 
• 1118-61-2 3-Aminocrotononitrile 

Relevant articles and documents

Oxidative Ring-Opening of 1H-Pyrazol-5-amines and Its Application in Constructing Pyrazolo–Pyrrolo–Pyrazine Scaffolds by Domino Cyclization

Herein, an oxidative ring-opening of 1H-pyrazol-5-amines to form 3-diazenylacrylonitrile derivatives under mild and transition-metal-free conditions is described. In addition, the nucleophilic addition of deprotonated 1H-pyrrole-2-carbaldehydes to the vinyl moiety of the yielded 3-diazenylacrylonitriles could trigger domino cyclization to afford the 3H-pyrazolo[3,4-e]pyrrolo[1,2-a]pyrazine derivatives. Computational studies suggest that the oxidation of 1H-pyrazol-5-amines in the presence of PhIO is through the formation of a hydroxylamine intermediate followed by elimination of H2O to result in the ring-opening product. The detailed domino cyclization pathway leading to the pyrazolo–pyrrolo–pyrazine scaffolds is revealed.