Methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate hydrochloride

Name: Methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate hydrochloride
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CAS No. 676371-65-6
Cat. No. CS-W000158
Purity≥95%
MDL No.MFCD20720060

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Methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate hydrochloride|CS-W000158

Structure of 676371-65-6

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General Information

CAS No. 676371-65-6
Cat. No. CS-W000158
Purity ≥95%
MDL No. MFCD20720060
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₂ClNO₂
Molecular Weight 177.63
Synonym(s) None
SMILES Cl.O=C(OC)C12CC(N)(C1)C2

Description

Methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate hydrochloride features a rigid, strained bicyclic core that imparts exceptional conformational stability. The pendant amine and ester functionalities enable straightforward derivatization, while the hydrochloride salt ensures high solubility and ease of handling in aqueous and polar organic media.

Application

Methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate hydrochloride serves as a rigid, three-dimensional building block for medicinal chemistry and synthetic applications. The bicyclo[1.1.1]pentane core imparts exceptional metabolic stability and enhanced bioavailability, while the pendant amine and ester functionalities enable straightforward derivatization via amide coupling, alkylation, or reduction. Bench-stable and compatible with standard purification methods, it facilitates efficient access to complex scaffolds in drug discovery campaigns.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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Computational Chemistry Data

TPSA 52.32
LogP 0.4626
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

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

Key Words

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Methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate hydrochloride

CAS No. 676371-65-6

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