tert-Butyl (3-aminobicyclo[1.1.1]pentan-1-yl)carbamate

Name: tert-Butyl (3-aminobicyclo[1.1.1]pentan-1-yl)carbamate
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CAS No. 1638767-25-5
Cat. No. CS-0047522
Purity≥97%
MDL No.MFCD27987307

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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 (3-aminobicyclo[1.1.1]pentan-1-yl)carbamate|CS-0047522

Structure of 1638767-25-5

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General Information

CAS No. 1638767-25-5
Cat. No. CS-0047522
Purity ≥97%
MDL No. MFCD27987307
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₈N₂O₂
Molecular Weight 198.27
Synonym(s) None
SMILES O=C(NC12CC(N)(C2)C1)OC(C)(C)C

Description

tert-Butyl (3-aminobicyclo[1.1.1]pentan-1-yl)carbamate delivers a rigid, electron-rich bicyclic scaffold with a bench-stable amine handle, enabling direct incorporation into complex molecular architectures. The protected amine facilitates efficient derivatization under standard conditions, while the strained cage framework imparts conformational constraint ideal for probing bioactive ligand geometries.

Application

tert-Butyl (3-aminobicyclo[1.1.1]pentan-1-yl)carbamate serves as a stable, bench-ready amine handle for medicinal chemistry and process development. The bicyclobutane core imparts rigidity and metabolic stability, while the tert-butoxycarbonyl (Boc) group enables straightforward protection and deprotection under mild acidic conditions. This compound facilitates efficient incorporation into diverse scaffolds via standard coupling reactions and supports orthogonal functionalization in multi-step syntheses.

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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Computational Chemistry Data

TPSA 64.35
LogP 1.1449
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Specialized Building Blocks for Drug Discovery Bicyclo[1.1.1]pentane Building Blocks

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tert-Butyl (3-aminobicyclo[1.1.1]pentan-1-yl)carbamate

CAS No. 1638767-25-5

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