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

Name: 1-{3-Hydroxybicyclo[1.1.1]pentan-1-yl}ethan-1-one
Brand: ChemScene
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CAS No. 2055839-77-3
Cat. No. CS-0052652
Purity≥97%
MDL No.MFCD30530452

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
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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1-{3-Hydroxybicyclo[1.1.1]pentan-1-yl}ethan-1-one|CS-0052652

Structure of 2055839-77-3

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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.

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

Computational Chemistry Data

TPSA 37.3
LogP 0.4904
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

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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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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

CAS No. 2055839-77-3

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