tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate

Name: tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate
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CAS No. 202797-03-3
Cat. No. CS-0051533
Purity≥97%
MDL No.None

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tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate|CS-0051533

Structure of 202797-03-3

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General Information

CAS No. 202797-03-3
Cat. No. CS-0051533
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₄N₂O₂
Molecular Weight 240.34
Synonym(s) Endo-3-Amino-N-Boc-9-azabicyclo[3.3.1]nonane
SMILES CC(C)(C)OC(=O)N1C2CCCC1CC(N)C2

Description

tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate features a rigid, nitrogen-rich bicyclic scaffold with a primary amine and tert-butyl ester handle. This configuration enables direct incorporation into medicinal chemistry campaigns requiring constrained, basic heterocycles with tunable solubility and metabolic stability under standard bench conditions.

Application

tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate serves as a versatile, bench-stable building block for the synthesis of complex nitrogen-containing scaffolds. The protected amine and carboxylate functionalities enable straightforward functionalization and orthogonal transformations. Its rigid bicyclic structure provides conformational constraint ideal for medicinal chemistry applications, while the tert-butyl group facilitates easy deprotection under mild acidic conditions.

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

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Computational Chemistry Data

TPSA 55.56
LogP 2.2657
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate

CAS No. 202797-03-3

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