tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate

Name: tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate
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CAS No. 1251010-45-3
Cat. No. CS-0048275
Purity≥98%
MDL No.MFCD17017630

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tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate|CS-0048275

Structure of 1251010-45-3

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Description

tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate features a rigid, oxygen-bridged bicyclic core with two nitrogen atoms at strategic positions, enabling precise spatial control in synthetic transformations. The tert-butyl ester group enhances solubility and stability under standard conditions, facilitating straightforward deprotection. This scaffold serves as a key building block for complex heterocyclic systems in medicinal chemistry and catalysis.

Application

tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate serves as a versatile scaffold for the synthesis of nitrogen-containing heterocycles, enabling efficient access to biologically relevant core structures. The molecule combines a rigid bicyclic framework with orthogonal functional groups: the tert-butoxycarbonyl (Boc) group allows for controlled deprotection and amine derivatization, while the ether oxygen and two nitrogen atoms provide sites for selective functionalization. Its bench-stable nature and compatibility with standard coupling and reductive amination protocols make it well-suited for medicinal chemistry and process development workflows.

General Information

CAS No. 1251010-45-3
Cat. No. CS-0048275
Purity ≥98%
MDL No. MFCD17017630
Storage -20°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₀N₂O₃
Molecular Weight 228.29
Synonym(s) Racemic-(1R,5S)-tert-butyl3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate
SMILES CC(C)(OC(N1C2CNCC1COC2)=O)C

Computational Chemistry Data

TPSA 50.8
LogP 0.5941
H_Acceptors 4
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 Morpholine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate

CAS No. 1251010-45-3

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