4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride

Name: 4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride
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CAS No. 509074-26-4
Cat. No. CS-0186875
Purity≥97%
MDL No.MFCD26385552

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4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride|CS-0186875

Structure of 509074-26-4

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Description

This sulfonyl chloride features a 4-(5-methyl-3-phenylisoxazol-4-yl)benzene scaffold, combining a sterically hindered isoxazole ring with a reactive sulfonyl chloride group. The electron-deficient aryl moiety enables efficient coupling in synthetic transformations, while the phenyl-substituted isoxazole enhances stability and solubility under standard conditions.

Application

4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride serves as a versatile building block for constructing sulfonamide-containing heterocycles. The isoxazole moiety provides structural rigidity and metabolic stability, while the sulfonyl chloride group enables facile derivatization via nucleophilic substitution. Its bench-stable nature and compatibility with common protecting groups facilitate integration into multi-step synthetic sequences, particularly in medicinal chemistry campaigns targeting kinase inhibitors and other bioactive scaffolds.

General Information

CAS No. 509074-26-4
Cat. No. CS-0186875
Purity ≥97%
MDL No. MFCD26385552
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₂ClNO₃S
Molecular Weight 333.79
Synonym(s) Benzenesulfonyl chloride, 4-(5-methyl-3-phenyl-4-isoxazolyl)-
SMILES CC1=C(C(C2=CC=CC=C2)=NO1)C3=CC=C(S(=O)(Cl)=O)C=C3

Computational Chemistry Data

TPSA 60.17
LogP 4.24452
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
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 Isoxazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride

CAS No. 509074-26-4

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