tert-Butyl 6-hydroxy-1,4-oxazepane-4-carboxylate

Name: tert-Butyl 6-hydroxy-1,4-oxazepane-4-carboxylate
Brand: ChemScene
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CAS No. 1272758-40-3
Cat. No. CS-0037622
Molecule weight217.26
Purity≥96%
MDL No.MFCD18711407

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tert-Butyl 6-hydroxy-1,4-oxazepane-4-carboxylate|CS-0037622

Structure of 1272758-40-3

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General Information

CAS No. 1272758-40-3
Cat. No. CS-0037622
Purity ≥96%
MDL No. MFCD18711407
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₉NO₄
Molecular Weight 217.26
Synonym(s) tert-butyl 6-hydroxy-1,4-oxazaperhydroepine-4-carboxylate
SMILES O=C(N1CCOCC(O)C1)OC(C)(C)C

Description

tert-Butyl 6-hydroxy-1,4-oxazepane-4-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring a hydroxylated oxazepane core. This functionalized scaffold integrates readily into complex molecular architectures, enabling efficient access to bioactive compounds through selective derivatization at the hydroxyl and carboxylate sites.

Application

tert-Butyl 6-hydroxy-1,4-oxazepane-4-carboxylate serves as a versatile scaffold for the synthesis of oxazepane-containing bioactive molecules. The pendant hydroxyl group enables direct functionalization via esterification, etherification, or oxidation to ketone, while the protected amine and carboxylate facilitate sequential coupling reactions. Its bench-stable nature and compatibility with standard peptide coupling conditions make it well-suited for modular medicinal chemistry campaigns targeting CNS-active compounds and kinase inhibitors.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 59
LogP 0.6146
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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tert-Butyl 6-hydroxy-1,4-oxazepane-4-carboxylate

CAS No. 1272758-40-3

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