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1-{3-Hydroxybicyclo[1.1.1]pentan-1-yl}ethan-1-one

  • CAS No. 2055839-77-3

  • Cat. No. CS-0052652
  • Purity≥97%
  • MDL No.MFCD30530452

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

1-{3-Hydroxybicyclo[1.1.1]pentan-1-yl}ethan-1-one|CS-0052652

Structure of 2055839-77-3

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General Information

  • CAS No. 2055839-77-3
  • Cat. No. CS-0052652
  • Purity ≥97%
  • MDL No. MFCD30530452
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) 1-(3-Hydroxybicyclo[1.1.1]pentan-1-yl)ethanone
  • SMILES CC(=O)C12CC(O)(C1)C2

Description

This bicyclic ketone features a rigid, strained 1.1.1-bicyclo[1.1.1]pentane scaffold with a pendant hydroxyl group, enabling unique steric and electronic properties. The molecule combines enhanced stability with high functional group tolerance, facilitating integration into complex synthetic sequences. Its distinctive topology supports applications in medicinal chemistry and molecular probe design.

Application

1-{3-Hydroxybicyclo[1.1.1]pentan-1-yl}ethan-1-one serves as a versatile building block for strained bicyclic scaffolds, enabling efficient access to functionalized 3-hydroxybicyclo[1.1.1]pentane motifs. The ketone functionality facilitates downstream transformations including reduction, nucleophilic addition, and conjugate additions, while the rigid, sterically encumbered core enhances metabolic stability. Bench-stable and compatible with standard synthetic protocols, it supports rapid diversification in medicinal chemistry campaigns targeting CNS-active compounds and enzyme inhibitors.

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   37.3
  • LogP   0.4904
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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