3-Chlorobicyclo[1.1.1]pentane-1-carboxylic acid

Name: 3-Chlorobicyclo[1.1.1]pentane-1-carboxylic acid
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CAS No. 156329-73-6
Cat. No. CS-0078775
Purity≥97%
MDL No.None

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Excepted Quantity	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Chlorobicyclo[1.1.1]pentane-1-carboxylic acid|CS-0078775

Structure of 156329-73-6

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General Information

CAS No. 156329-73-6
Cat. No. CS-0078775
Purity ≥97%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇ClO₂
Molecular Weight 146.57
Synonym(s) None
SMILES ClC12CC(C2)(C(O)=O)C1

Description

3-Chlorobicyclo[1.1.1]pentane-1-carboxylic acid is a rigid, electron-deficient scaffold featuring a strained bicyclic core with a pendant carboxylic acid group. This configuration enables direct incorporation into bioactive molecules, where the chlorinated cage imparts metabolic stability and modulates electronic properties. The compound serves as a valuable building block in medicinal chemistry for probing steric and electronic effects in target-directed ligand design.

Application

3-Chlorobicyclo[1.1.1]pentane-1-carboxylic acid serves as a rigid, sterically constrained building block for medicinal chemistry and target-oriented synthesis. Its strained bicyclic core imparts high metabolic stability and enhances bioavailability when incorporated into molecular scaffolds. The carboxylic acid functionality enables direct derivatization via amide coupling or esterification, while the chlorine substituent offers a handle for further functionalization through nucleophilic substitution or cross-coupling reactions. The compound exhibits excellent bench stability and compatibility with standard purification techniques.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 37.3
LogP 1.2325
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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3-Chlorobicyclo[1.1.1]pentane-1-carboxylic acid

CAS No. 156329-73-6

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