1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone

Name: 1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone
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CAS No. 115913-30-9
Cat. No. CS-W000136
Purity≥98%
MDL No.MFCD23164149

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1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone|CS-W000136

Structure of 115913-30-9

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General Information

CAS No. 115913-30-9
Cat. No. CS-W000136
Purity ≥98%
MDL No. MFCD23164149
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₂O₂
Molecular Weight 152.19
Synonym(s) 1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
SMILES CC(=O)C12CC(C1)(C2)C(C)=O

Description

This bicyclic diketone features a rigid, electron-deficient [1.1.1]bicyclo[1.1.1]pentane scaffold that enhances metabolic stability and improves lipophilicity in medicinal chemistry applications. The two ketone groups enable straightforward derivatization for probe synthesis and molecular scaffolding.

Application

1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone serves as a rigid, sterically constrained diacyl building block for the synthesis of complex molecular architectures. Its bicyclic core imparts exceptional thermal and oxidative stability, enabling straightforward incorporation into pharmaceutical intermediates and functionalized heterocycles. The diketone functionality facilitates sequential transformations with nucleophiles, including amines and alcohols, and supports efficient purification via crystallization or chromatography. This compound functions reliably in standard synthetic workflows requiring high structural fidelity and bench stability.

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 34.14
LogP 1.3347
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Key Words

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1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone

CAS No. 115913-30-9

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