6126-12-1

Basic information

• Product Name: 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole
• Synonyms: 1H-pyrazole, 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-; 3,5-Dimethyl-1-(toluene-4-sulfonyl)-1H-pyrazole
• CAS NO: 6126-12-1
• Molecular Formula: C₁₂H₁₄N₂O₂S
• Molecular Weight: 250.3168
• Mol File: 6126-12-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 417.6°C at 760 mmHg
• Flash Point: 206.4°C
• Density: 1.23g/cm³
• Vapor Pressure: 3.49E-07mmHg at 25°C
• Refractive Index: 1.598
• CAS DataBase Reference: 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole(6126-12-1)
• EPA Substance Registry System: 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole(6126-12-1)

Safety Data

• Hazardous Substances Data: 6126-12-1(Hazardous Substances Data)

Upstream product

• 1576-35-8 toluene-4-sulfonic acid hydrazide 
• 123-54-6 acetylacetone 

Relevant articles and documents

Self-assembly of a new 3D platelike ternary-oxo-cluster: An efficient catalyst for the synthesis of pyrazoles

A new metal-oxo-clusters-based inorganic framework [NaCo2Mo2O7(OH)3]n (NaCoMo), named as 3D platelike ternary-oxo-cluster, has been hydrothermally synthesized and characterized by single-crystal X-ray

Direct N-heterocyclization of hydrazines to access styrylated pyrazoles: synthesis of 1,3,5-trisubstituted pyrazoles and dihydropyrazoles

A microwave-assisted method has been developed for the synthesis of tri-substituted pyrazoles via direct N-heterocyclization of hydrazines with metal-acetylacetonate and -dibenzylideneacetonate without using any base or additives. Most importantly, the synthesis of 1-aryl-5-phenyl-3-styryl-1H-pyrazoles was achieved in a single step using hydrochloride salt of various phenylhydrazines and this is the first report for direct construction of these molecules. The reaction medium and microwave conditions play a critical role for their selective product formation during the reaction. The present reaction explored the usage of metal-diketonic complexes as reaction substrates providing acetylacetone and dibenzylideneacetone moieties to directly participate in cyclization with hydrazines to form the corresponding pyrazoles in excellent yields. The present protocol introduces the important N-heterocyclic moieties in the final structures, giving the reaction great applications from a medicinal chemistry perspective, particularly in the late stage modification strategies in drug discovery.

Efficient Copper-Catalyzed Synthesis of Substituted Pyrazoles at Room Temperature

An efficient method for the synthesis of pyrazoles through a copper-catalyzed condensation reaction has been developed. The new catalytic system not only maintained a broad substrate scope but was also active under acid-free reaction conditions, overcoming the conventional requirement for an acid-catalyzed system. Furthermore, the copper catalyst enabled this reaction to be performed at room temperature and in a short reaction time.