tert-Butyl 1-oxa-5-azaspiro[2.3]hexane-5-carboxylate

Name: tert-Butyl 1-oxa-5-azaspiro[2.3]hexane-5-carboxylate
Brand: ChemScene
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CAS No. 934664-42-3
Cat. No. CS-0048471
Molecule weight185.22
Purity≥95%
MDL No.MFCD19443902

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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tert-Butyl 1-oxa-5-azaspiro[2.3]hexane-5-carboxylate|CS-0048471

Structure of 934664-42-3

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General Information

CAS No. 934664-42-3
Cat. No. CS-0048471
Purity ≥95%
MDL No. MFCD19443902
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₅NO₃
Molecular Weight 185.22
Synonym(s) None
SMILES CC(C)(C)OC(=O)N1CC2(CO2)C1

Description

tert-Butyl 1-oxa-5-azaspiro[2.3]hexane-5-carboxylate is a sterically hindered spirocyclic scaffold featuring a fused oxazepine ring system with enhanced stability and solubility in organic media. This configuration supports efficient incorporation into complex molecular architectures, particularly in medicinal chemistry campaigns requiring rigid, conformationally restricted motifs. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, facilitating downstream functionalization.

Application

tert-Butyl 1-oxa-5-azaspiro[2.3]hexane-5-carboxylate serves as a versatile spirocyclic scaffold for medicinal chemistry applications, enabling the construction of constrained heterocycles with defined stereochemistry. The protected amine and ester functionalities offer orthogonal reactivity, facilitating downstream functionalization via hydrogenation, nucleophilic substitution, or coupling reactions. Bench-stable and readily purified by flash chromatography, it functions effectively in multi-step synthesis workflows requiring robustness and predictable transformation profiles.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 42.07
LogP 1.0061
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Azetidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Oxane compounds

Building Blocks Skeleton Spirol Rings compounds

Key Words

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tert-Butyl 1-oxa-5-azaspiro[2.3]hexane-5-carboxylate

CAS No. 934664-42-3

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