tert-Butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate

Name: tert-Butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate
Brand: ChemScene
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CAS No. 1330763-51-3
Cat. No. CS-W007236
Purity≥97%
MDL No.MFCD22566230

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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tert-Butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate|CS-W007236

Structure of 1330763-51-3

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Description

tert-Butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate features a rigid, nitrogen-rich bicyclic scaffold with a primary amine at the bridgehead position and a bench-stable tert-butyl ester for convenient manipulation. This configuration enables direct incorporation into complex molecular architectures, particularly in medicinal chemistry campaigns targeting constrained bioactive conformations.

Application

tert-Butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate serves as a versatile bicyclic scaffold for medicinal chemistry applications, offering a rigid, conformationally constrained core with orthogonal functional handles. The tertiary amine and protected amine functionalities enable sequential derivatization, while the tert-butyl ester facilitates straightforward deprotection under mild acidic conditions. Its stability and compatibility with standard coupling reactions make it ideal for building complex heterocyclic architectures in lead optimization campaigns.

General Information

CAS No. 1330763-51-3
Cat. No. CS-W007236
Purity ≥97%
MDL No. MFCD22566230
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₂N₂O₂
Molecular Weight 226.32
Synonym(s) 8-AMino-3-Boc-3-azabicyclo[3.2.1]octane
SMILES O=C(N1CC(C2N)CCC2C1)OC(C)(C)C

Computational Chemistry Data

TPSA 55.56
LogP 1.5906
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate

CAS No. 1330763-51-3

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