Methyl 3-(4-chlorophenyl)propanoate

Name: Methyl 3-(4-chlorophenyl)propanoate
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CAS No. 50561-69-8
Cat. No. CS-0061883
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 3-(4-chlorophenyl)propanoate|CS-0061883

Structure of 50561-69-8

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General Information

CAS No. 50561-69-8
Cat. No. CS-0061883
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁ClO₂
Molecular Weight 198.65
Synonym(s) Benzenepropanoic acid, 4-chloro-, Methyl ester
SMILES COC(=O)CCC1=CC=C(C=C1)Cl

Description

Methyl 3-(4-chlorophenyl)propanoate is a synthetically valuable ester featuring a para-chlorinated phenyl group linked via a methylene spacer to a methyl ester. This structure provides enhanced solubility and stability in organic media, enabling efficient incorporation into pharmaceutical intermediates and functional materials. The electron-withdrawing chlorine substituent modulates reactivity, facilitating selective transformations under mild conditions.

Application

Methyl 3-(4-chlorophenyl)propanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to aryl-substituted aliphatic scaffolds. Its stable ester functionality tolerates a range of reaction conditions and facilitates downstream transformations such as hydrolysis, reduction, or coupling reactions. The molecule functions effectively in standard cross-coupling protocols and provides a robust platform for constructing biologically relevant motifs in medicinal chemistry research.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 26.3
LogP 2.4456
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-(4-chlorophenyl)propanoate

CAS No. 50561-69-8

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