tert-Butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Name: tert-Butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 227940-72-9
Cat. No. CS-0036855
Purity≥95%
MDL No.MFCD17016673

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FedEx Limited Quantities Ground	$0.00
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tert-Butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate|CS-0036855

Structure of 227940-72-9

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Description

tert-Butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate is a bench-stable, moisture-tolerant heterocyclic scaffold featuring a rigid bicyclic core with strategically positioned nitrogen atoms. This tertiary amine functionality enables efficient coupling reactions and facilitates incorporation into complex molecular architectures. The tert-butyl ester group offers convenient protection and orthogonal deprotection under mild acidic conditions, streamlining synthetic access to bioactive amines.

Application

tert-Butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate serves as a versatile scaffold for medicinal chemistry and catalysis, enabling the construction of constrained bicyclic amines with defined stereochemistry. The protected amine functionality offers excellent bench stability, facilitates straightforward purification, and enables selective deprotection or functionalization in multi-step syntheses. Its rigid framework provides favorable conformational control in ligand and drug discovery applications.

General Information

CAS No. 227940-72-9
Cat. No. CS-0036855
Purity ≥95%
MDL No. MFCD17016673
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₂N₂O₂
Molecular Weight 226.32
Synonym(s) tert-butyl 8-{3,7-diazabicyclo[3.3.1]nonan-1-yl}-2-ethyloctanoate
SMILES CC(C)(C)OC(=O)N1CC2CC(CNC2)C1

Computational Chemistry Data

TPSA 41.57
LogP 1.4628
H_Acceptors 3
H_Donors 1
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 Bridge Rings compounds Other bridge ring compounds

Key Words

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tert-Butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

CAS No. 227940-72-9

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