5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride

Name: 5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride
Brand: ChemScene
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CAS No. 342405-38-3
Cat. No. CS-0089460
Purity≥95%
MDL No.MFCD02681919

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5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride|CS-0089460

Structure of 342405-38-3

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Description

5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride features a reactive sulfonyl chloride group flanked by an electron-rich pyrazole core and a phenyl substituent. This combination enables efficient coupling in synthetic transformations, particularly in the construction of sulfonamide derivatives for medicinal chemistry applications. The methyl group enhances steric and electronic tuning, while the bench-stable nature facilitates handling under standard conditions.

Application

5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride serves as a versatile sulfonyl chloride building block for the synthesis of pyrazole-based sulfonamides and sulfonate esters. Its reactivity enables efficient coupling with amines and alcohols under mild conditions, facilitating rapid access to functionalized heterocycles. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry campaigns and process-scale synthesis.

General Information

CAS No. 342405-38-3
Cat. No. CS-0089460
Purity ≥95%
MDL No. MFCD02681919
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉ClN₂O₂S
Molecular Weight 256.71
Synonym(s) 5-methyl-1-phenyl-pyrazole-4-sulfonyl chloride
SMILES O=S(C1=C(C)N(C2=CC=CC=C2)N=C1)(Cl)=O

Computational Chemistry Data

TPSA 51.96
LogP 2.10822
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride

CAS No. 342405-38-3

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