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
Availability: InStock
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CAS No. 934664-42-3
Cat. No. CS-0048471
Purity≥95%
MDL No.MFCD19443902

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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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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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.

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

Computational Chemistry Data

TPSA 42.07
LogP 1.0061
H_Acceptors 3
H_Donors 0
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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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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