(S)-3-Amino-5-methyl-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one

Name: (S)-3-Amino-5-methyl-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one
Brand: ChemScene
Availability: InStock
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CAS No. 889460-62-2
Cat. No. CS-0044726
Purity≥97%
MDL No.None

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(S)-3-Amino-5-methyl-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one|CS-0044726

Structure of 889460-62-2

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Description

(S)-3-Amino-5-methyl-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one is a chiral heterocyclic scaffold featuring a fused oxazepine ring system with defined stereochemistry at the 3-position. This bench-stable compound integrates an amino group and a methyl substituent in a spatially constrained architecture, enabling precise molecular recognition. Its electron-rich core supports efficient coupling reactions and facilitates incorporation into bioactive molecules. The structure serves as a high-fidelity building block for medicinal chemistry campaigns targeting CNS-active compounds and kinase inhibitors.

Application

(S)-3-Amino-5-methyl-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one serves as a structurally defined heterocyclic building block for medicinal chemistry campaigns targeting CNS-active compounds. The molecule features a fused oxazepine core with an amino group at C3 and a methyl substituent at C5, enabling direct functionalization and derivatization in standard amide coupling, alkylation, or reductive amination protocols. Its bench-stable crystalline form facilitates handling and purification, while the rigid, polar scaffold provides valuable structural diversity in lead optimization efforts.

General Information

CAS No. 889460-62-2
Cat. No. CS-0044726
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂N₂O₂
Molecular Weight 192.21
Synonym(s) (3S)-3-Amino-5-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
SMILES O=C1[C@@H](N)COC2=CC=CC=C2N1C

Computational Chemistry Data

TPSA 55.56
LogP 0.3691
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

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+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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(S)-3-Amino-5-methyl-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one

CAS No. 889460-62-2

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