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CS-W001157 4
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3-Methoxybicyclo[1.1.1]pentan-1-amine hydrochloride

  • CAS No. 2197502-05-7

  • Cat. No. CS-0167520
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-Methoxybicyclo[1.1.1]pentan-1-amine hydrochloride|CS-0167520

Structure of 2197502-05-7

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General Information

  • CAS No. 2197502-05-7
  • Cat. No. CS-0167520
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂ClNO
  • Molecular Weight 149.62
  • Synonym(s) 3-Methoxy-bicyclo[1.1.1]pent-1-ylamine hydrochloride
  • SMILES NC1(C2)CC2(OC)C1.[H]Cl

Description

3-Methoxybicyclo[1.1.1]pentan-1-amine hydrochloride features a rigid, strained bicyclic core that imparts exceptional metabolic stability and conformational restraint. The methoxy group enhances solubility and modulates electronic properties, while the protonated amine ensures high water solubility and salt stability. This compound serves as a valuable scaffold in medicinal chemistry for probing steric and electronic effects in bioactive molecule design.

Application

3-Methoxybicyclo[1.1.1]pentan-1-amine hydrochloride serves as a rigid, conformationally constrained amine building block for medicinal chemistry and synthetic organic applications. Its bicyclic scaffold imparts enhanced metabolic stability and defined spatial orientation, facilitating precise pharmacophore positioning. The methoxy group provides moderate polarity and handles well under standard coupling conditions, while the hydrochloride salt ensures excellent solubility and bench stability. Functions effectively in amide bond formation, reductive amination, and transition-metal-catalyzed cross-couplings, enabling efficient access to complex heterocyclic scaffolds and API intermediates.

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   35.25
  • LogP   0.6884
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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