121358-73-4

Basic information

• Product Name: 4-Bromo-1-(phenylsulfonyl)pyrazole
• Synonyms: 4-Bromo-1-(phenylsulfonyl)pyrazole;4-BroMo-1-(phenylsulfonyl)-1H-pyrazole;1-Benzenesulfonyl-4-broMo-1H-pyrazole, 97%
• CAS NO: 121358-73-4
• Molecular Formula: C₉H₇BrN₂O₂S
• Molecular Weight: 287.13308
• Mol File: 121358-73-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 90-92°C
• Boiling Point: 436.6±37.0 °C(Predicted)
• Appearance: /
• Density: 1.70±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -6.36±0.19(Predicted)
• CAS DataBase Reference: 4-Bromo-1-(phenylsulfonyl)pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromo-1-(phenylsulfonyl)pyrazole(121358-73-4)
• EPA Substance Registry System: 4-Bromo-1-(phenylsulfonyl)pyrazole(121358-73-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 121358-73-4(Hazardous Substances Data)

Usage

Description

4-Bromo-1-(phenylsulfonyl)pyrazole is a pyrazole derivative with the molecular formula C11H8BrN3O2S. It is characterized by a bromo-substituted phenylsulfonyl group attached to the 1-position of the pyrazole ring. This chemical is a white to light yellow solid with a molecular weight of 317.17 g/mol.
Used in Research and Pharmaceutical Industries:
4-Bromo-1-(phenylsulfonyl)pyrazole is used as a building block for the synthesis of potential drugs and bioactive compounds due to its unique chemical structure and properties.
Used in Drug Development:
4-Bromo-1-(phenylsulfonyl)pyrazole is used as a promising candidate for further drug development because of its demonstrated pharmacological activities, including anti-inflammatory and anti-cancer properties.

Upstream product

• 2075-45-8 4-bromo-1H-pyrazole 
• 98-09-9 benzenesulfonyl chloride 

Downstream Products

• 130874-39-4 4-bromo-1-phenylsulphonyl-5-trimethylsilylpyrazole 
• 130874-37-2 4-bromo-1-phenylsulphonylpyrazol-5-yl(diphenyl)methanol 
• 130874-34-9 4-bromo-1-phenylsulphonylpyrazole-5-carboxylic acid 
• 121358-75-6 3,4-dibromo-1-phenylsulphonylpyrazole 
• 130874-43-0 4,5-dibromo-1-phenylsulphonylpyrazole 
• 130874-42-9 3-benzyl-4-bromo-1-phenylsulphonylpyrazole 
• 130874-36-1 4-bromo-1-phenylsulphonylpyrazol-5-yl(phenyl)methanol 
• 130874-35-0 4-bromo-1-phenylsulphonylpyrazol-5-yl phenyl ketone 
• 130874-38-3 phenyl 4-bromo-1-phenylsulphonylpyrazole-5-carboxylate 
• 130874-45-2 4-bromo-3⁽⁵⁾-phenylthiopyrazole 
• 130874-31-6 4-bromo-3-methyl-1-phenylsulphonylpyrazole 
• 190263-45-7 2-Benzenesulfonyl-4-bromo-2H-pyrazole-3-carboxylic acid methyl ester 

Relevant articles and documents

Pyrazole Chemistry. Part 4. Directed Lithiation of 4-Bromo-1-phenylsulphonylpyrazole: a Convenient Approach to Vicinally Disubstituted Pyrazoles

4-Bromo-1-phenylsulphonylpyrazole (10), obtained from 4-bromopyrazole (5) and benzenesulphonyl chloride, can be metallated regioselectively by phenyl-lithium to give the 5-lithio derivative (15) which upon quenching with appropriate electrophiles leads to the 4-bromo-1-phenylsulphonyl-5-substituted pyrazoles (16)-(23), (25), and (26).Compounds (22), (23), and (25) were found to undergo isomerisation to afford the thermodynamically more stable 4-bromo-1-phenylsulphonyl-3-substituted pyrazoles (11), (24), and (13) under the reaction conditions applied.The phenylsulphonyl protecting group then can be removed readily under alkaline conditions to yield the corresponding 4-bromo-3(5)-substituted 1H-pyrazoles (6), (9), (28), (29), and (30).