130874-32-7

Basic information

• Product Name: 1-BENZENESULFONYL-4-BROMO-3,5-DIMETHYL-1H-PYRAZOLE
• Synonyms: 1-BENZENESULFONYL-4-BROMO-3,5-DIMETHYL-1H-PYRAZOLE;1-Phenylsulfonyl-4-broMo-3,5-diMethyl-1H-pyrazole, 95%;4-BroMo-3,5-diMethyl-1-phenylsulfonyl-1H-pyrazole, 95%
• CAS NO: 130874-32-7
• Molecular Formula: C₁₁H₁₁BrN₂O₂S
• Molecular Weight: 315.19
• Mol File: 130874-32-7.mol
• Article Data: 1

Chemical Properties

• Melting Point: 108-109 °C(Solv: ethanol (64-17-5))
• Boiling Point: 457.3°C at 760 mmHg
• Flash Point: 230.3°C
• Appearance: /
• Density: 1.58g/cm³
• Vapor Pressure: 1.51E-08mmHg at 25°C
• Refractive Index: 1.643
• PKA: -5.13±0.19(Predicted)
• CAS DataBase Reference: 1-BENZENESULFONYL-4-BROMO-3,5-DIMETHYL-1H-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZENESULFONYL-4-BROMO-3,5-DIMETHYL-1H-PYRAZOLE(130874-32-7)
• EPA Substance Registry System: 1-BENZENESULFONYL-4-BROMO-3,5-DIMETHYL-1H-PYRAZOLE(130874-32-7)

Safety Data

• Hazardous Substances Data: 130874-32-7(Hazardous Substances Data)

Usage

Pyrazole derivative

A compound based on the pyrazole ring structure, which consists of a five-membered ring with two nitrogen atoms.

Benzene sulfonyl group

A functional group derived from benzene, with an additional sulfonyl (-SO2-) group attached to the ring.

Bromine atom

A halogen atom (bromine) present in the compound, which can influence its reactivity and properties.

Two methyl groups attached to the pyrazole ring

Two small alkyl groups (-CH3) attached to the pyrazole ring, which can affect the compound's steric and electronic properties.

Intermediate in the synthesis of pharmaceuticals and agrochemicals

The compound is used as a starting material or building block in the preparation of other pharmaceutical and agrochemical compounds.

Potential as an antimicrobial agent

The compound has shown the ability to inhibit or kill microorganisms, making it a candidate for further development as an antimicrobial drug.

Promise in the development of new materials for electronic applications

The compound's unique structure and properties make it a potential candidate for use in electronic materials and devices.

Inhibitory activity against certain enzymes

The compound has demonstrated the ability to interfere with the function of specific enzymes, which can be important in pharmaceutical research and drug development.

Versatile structure and potential biological activity

The compound's structure allows for various modifications and functional group manipulations, making it a valuable compound for a wide range of chemical and pharmaceutical applications.

InChI:InChI=1/C11H11BrN2O2S/c1-8-11(12)9(2)14(13-8)17(15,16)10-6-4-3-5-7-10/h3-7H,1-2H3

Upstream product

• 3398-16-1 4-Bromo-3,5-dimethylpyrazole 
• 98-09-9 benzenesulfonyl chloride 

Downstream Products

• 3398-16-1 4-Bromo-3,5-dimethylpyrazole 

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).