2-(3-Bromophenyl)-3-(4-chlorophenyl)propanoic acid

Name: 2-(3-Bromophenyl)-3-(4-chlorophenyl)propanoic acid
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CAS No. 941280-51-9
Cat. No. CS-0310860
Purity≥97%
MDL No.None

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2-(3-Bromophenyl)-3-(4-chlorophenyl)propanoic acid|CS-0310860

Structure of 941280-51-9

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General Information

CAS No. 941280-51-9
Cat. No. CS-0310860
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₂BrClO₂
Molecular Weight 339.61
Synonym(s) Benzenepropanoic acid, α-(3-bromophenyl)-4-chloro
SMILES O=C(C(CC1=CC=C(C=C1)Cl)C2=CC(Br)=CC=C2)O

Description

This propanoic acid derivative features a 3-bromophenyl group adjacent to a 4-chlorophenyl moiety, creating a sterically constrained, electron-deficient scaffold ideal for cross-coupling reactions. The pendant carboxylic acid enables direct functionalization or derivatization under standard conditions.

Application

2-(3-Bromophenyl)-3-(4-chlorophenyl)propanoic acid serves as a versatile building block for constructing biaryl-containing scaffolds in medicinal chemistry. Its structure features orthogonal functional handles—bromide and chloride—for subsequent cross-coupling reactions, enabling efficient access to complex heterocyclic systems. The carboxylic acid group facilitates derivatization and purification via standard chromatographic or crystallization methods. Bench-stable and compatible with palladium-catalyzed transformations, it functions effectively in multi-step synthesis workflows.

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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 37.3
LogP 4.5134
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(3-Bromophenyl)-3-(4-chlorophenyl)propanoic acid

CAS No. 941280-51-9

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