tert-Butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate

Name: tert-Butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
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CAS No. 489438-95-1
Cat. No. CS-0048483
Purity≥97%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate|CS-0048483

Structure of 489438-95-1

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General Information

CAS No. 489438-95-1
Cat. No. CS-0048483
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₈N₂O₂
Molecular Weight 198.26
Synonym(s) 3-Azabicyclo[3.1.0]hexane-3-carboxylicacid,1-amino-,1,1-dimethylethylester
SMILES CC(C)(C)OC(=O)N1CC2CC2(N)C1

Description

tert-Butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate delivers a rigid, nitrogen-rich scaffold ideal for medicinal chemistry. This bench-stable, moisture-tolerant building block integrates readily into bioactive molecules via its pendant amine and ester functionalities, enabling efficient access to constrained heterocyclic frameworks in drug discovery.

Application

tert-Butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate serves as a versatile scaffold for the synthesis of bioactive nitrogen-containing heterocycles, enabling efficient access to constrained piperidine-like architectures. The tertiary amine and protected primary amine functionalities offer orthogonal reactivity for sequential derivatization. Bench-stable and readily purified by column chromatography, it facilitates scalable functionalization in medicinal chemistry campaigns targeting GPCR modulators and CNS-directed therapeutics.

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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Computational Chemistry Data

TPSA 55.56
LogP 0.9545
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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tert-Butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate

CAS No. 489438-95-1

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