3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride

Name: 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride
Brand: ChemScene
Availability: InStock
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CAS No. 31794-45-3
Cat. No. CS-0128071
Purity≥95%
MDL No.MFCD05664887

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride|CS-0128071

Structure of 31794-45-3

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Description

This sulfonyl chloride derivative features a fused oxazine ring system with a ketone and sulfonamide functional group, enabling direct incorporation into bioconjugation workflows. The electrophilic sulfonyl chloride moiety reacts efficiently with primary amines under mild conditions, delivering stable amide-linked conjugates. Bench-stable and moisture-tolerant, this compound streamlines the synthesis of targeted probes and pharmaceutical intermediates.

Application

3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride serves as a versatile acylating agent for constructing sulfonamide-linked heterocyclic scaffolds. Its reactivity enables efficient functionalization of amines and alcohols under mild conditions, with the benzo[1,4]oxazine core offering structural rigidity and metabolic stability. The compound exhibits good bench stability and facilitates straightforward purification, making it suitable for iterative synthesis in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active molecules.

General Information

CAS No. 31794-45-3
Cat. No. CS-0128071
Purity ≥95%
MDL No. MFCD05664887
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClNO₄S
Molecular Weight 247.66
Synonym(s) 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride
SMILES O=S(C1=CC=C(OCC(N2)=O)C2=C1)(Cl)=O

Computational Chemistry Data

TPSA 72.47
LogP 0.945
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-H318
Precautionary Statements : P260-P264-P280-P304+P340-P330-P363-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride

CAS No. 31794-45-3

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