2-Oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride

CAS No. 78633-41-7
Cat. No. CS-0071035
Purity≥97%
MDL No.None

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2-Oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride|CS-0071035

Structure of 78633-41-7

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Description

This sulfonyl chloride derivative features a benzoxazole core with a reactive sulfonyl chloride group, enabling efficient coupling in synthetic transformations. The electron-deficient aromatic system enhances electrophilicity, while the fused heterocyclic framework provides structural rigidity and stability under standard conditions.

Application

2-Oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride serves as a versatile sulfonylating agent in synthetic organic chemistry, enabling efficient introduction of sulfonamide functionalities under mild conditions. Its stability and compatibility with diverse functional groups facilitate direct derivatization of nucleophiles such as amines and alcohols. The molecule functions as a key intermediate in the construction of bioactive heterocyclic scaffolds, particularly in medicinal chemistry campaigns involving benzoxazole-based lead optimization.

General Information

CAS No. 78633-41-7
Cat. No. CS-0071035
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClNO₄S
Molecular Weight 233.63
Synonym(s) 5-Benzoxazolesulfonylchloride,2,3-dihydro-2-oxo-(9CI)
SMILES O=S(C1=CC=C2OC(NC2=C1)=O)(Cl)=O

Computational Chemistry Data

TPSA 80.14
LogP 1.0486
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

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 Benzooxazole compounds

Key Words

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2-Oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride

CAS No. 78633-41-7

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