6-Nitro-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

Name: 6-Nitro-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
Brand: ChemScene
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CAS No. 94107-60-5
Cat. No. CS-0160544
Purity≥98%
MDL No.MFCD22187914

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6-Nitro-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one|CS-0160544

Structure of 94107-60-5

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Description

6-Nitro-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one features a fused oxazine ring system bearing a nitro group at the para position, conferring enhanced electron deficiency and reactivity. This bench-stable heterocycle integrates readily into synthetic sequences requiring electrophilic character or as a masked carbonyl equivalent in complex molecule assembly.

Application

6-Nitro-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic chemistry. Its fused oxazine core offers moderate stability and facilitates nucleophilic substitution at the C6 position, enabling efficient derivatization. The nitro group enhances electrophilicity and provides a handle for reduction or displacement reactions, supporting downstream functionalization in API development. Functions well in standard reaction conditions with good solubility and ease of purification.

General Information

CAS No. 94107-60-5
Cat. No. CS-0160544
Purity ≥98%
MDL No. MFCD22187914
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆N₂O₄
Molecular Weight 194.14
Synonym(s) 1,4-Dihydro-6-nitro-2H-3,1-benzoxazin-2-one
SMILES O=C1OCC2=CC([N+]([O-])=O)=CC=C2N1

Computational Chemistry Data

TPSA 81.47
LogP 1.6569
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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6-Nitro-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

CAS No. 94107-60-5

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