tert-Butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate

Name: tert-Butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate
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CAS No. 1892578-21-0
Cat. No. CS-0139400
Purity≥95%
MDL No.MFCD29763422

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FedEx Limited Quantities Ground	$0.00
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tert-Butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate|CS-0139400

Structure of 1892578-21-0

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Description

tert-Butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate features a rigid spirocyclic scaffold with a ketone at C7 and a tertiary ester handle, enabling direct functionalization at the 4-position. The azaspiro framework imparts conformational stability and enhanced solubility in polar organic solvents, facilitating use in iterative synthesis of complex nitrogen-containing heterocycles.

Application

tert-Butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate serves as a versatile spirocyclic building block in medicinal chemistry, enabling efficient access to nitrogen-containing heterocycles. The molecule features a ketone at C7 and a protected amine at C4, offering orthogonal reactivity for selective functionalization. Its robust tert-butyl ester group enhances bench stability and simplifies purification. The spirocyclic core facilitates conformational constraint in target molecules, supporting structure–activity studies in lead optimization campaigns.

General Information

CAS No. 1892578-21-0
Cat. No. CS-0139400
Purity ≥95%
MDL No. MFCD29763422
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₉NO₃
Molecular Weight 225.28
Synonym(s) 2-Methyl-2-propanyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate
SMILES O=C(N(CCC(C1)=O)C21CC2)OC(C)(C)C

Computational Chemistry Data

TPSA 46.61
LogP 2.119
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-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Building Blocks Skeleton Spirol Rings compounds

Key Words

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tert-Butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate

CAS No. 1892578-21-0

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