tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate

CAS No. 1445951-40-5
Cat. No. CS-0036041
Molecule weight269.34
Purity≥97%
MDL No.MFCD25459269

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tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate|CS-0036041

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General Information

CAS No. 1445951-40-5
Cat. No. CS-0036041
Purity ≥97%
MDL No. MFCD25459269
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₃N₃O₃
Molecular Weight 269.34
Synonym(s) None
SMILES CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(=N2)O

Description

tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate features a rigid spirocyclic core with dual nitrogen heteroatoms and a ketone at the C2 position, enabling selective functionalization in complex molecular architectures. The tert-butyl ester group provides stability and facilitates straightforward deprotection under mild acidic conditions, making it ideal for late-stage modifications in medicinal chemistry and macrocyclic synthesis.

Application

tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate serves as a robust spirocyclic scaffold for medicinal chemistry campaigns, enabling efficient access to complex heterocyclic architectures. The molecule features a stable, sterically encumbered spirocycle with orthogonal functional handles—particularly the carbamate and ketone groups—that facilitate selective derivatization. Its bench-stable nature and compatibility with standard coupling and reduction protocols make it a practical building block for targeted synthesis of bioactive compounds.

Safety Information

Download SDS

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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Computational Chemistry Data

TPSA 74.16
LogP 1.3158
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Spirol Rings compounds

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tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate

CAS No. 1445951-40-5

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