tert-Butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate

Name: tert-Butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate
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CAS No. 1225276-07-2
Cat. No. CS-0048426
Molecule weight304.23
Purity≥97%
MDL No.MFCD24471158

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tert-Butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate|CS-0048426

Structure of 1225276-07-2

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General Information

CAS No. 1225276-07-2
Cat. No. CS-0048426
Purity ≥97%
MDL No. MFCD24471158
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₂BrNO₂
Molecular Weight 304.23
Synonym(s) None
SMILES O=C(OC(C)(C)C)N1CCC2(CC1)CC(Br)C2

Description

tert-Butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate features a rigid spirocyclic scaffold with a bromine at the C2 position and a bench-stable tert-butyl ester group at the nitrogen-bearing carbon. This configuration enables direct functionalization in late-stage diversification, particularly in medicinal chemistry campaigns requiring stereoselective transformations or cross-coupling reactions under mild conditions.

Application

tert-Butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate serves as a versatile spirocyclic building block for medicinal chemistry, enabling the construction of nitrogen-containing heterocycles via palladium-catalyzed cross-coupling. The bromide moiety facilitates efficient functionalization, while the tert-butyl ester provides stability and ease of purification. Its rigid spiro scaffold offers defined stereochemistry and is well-suited for applications in target-oriented synthesis.

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

Quality Control

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Computational Chemistry Data

TPSA 29.54
LogP 3.561
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Building Blocks Skeleton Spirol Rings compounds

Key Words

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tert-Butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate

CAS No. 1225276-07-2

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