Methyl (4-cyanophenyl)acetate

CAS No. 52798-01-3
Cat. No. CS-W005340
Purity≥96%
MDL No.MFCD02181140

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FedEx Limited Quantities Ground	$0.00
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Methyl (4-cyanophenyl)acetate|CS-W005340

Structure of 52798-01-3

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Description

Methyl (4-cyanophenyl)acetate features a para-cyano-substituted phenyl ring linked to an ester-functionalized acetic acid moiety. This combination delivers enhanced electron-withdrawing character and improved solubility in polar organic solvents. The compound serves as a key intermediate for synthesizing functionalized aryl ketones, pharmaceuticals, and advanced materials through selective transformations at the ester or nitrile group.

Application

Methyl (4-cyanophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized arylacetic acid derivatives. The molecule combines a stable methyl ester with a para-cyano-substituted phenyl group, offering orthogonal reactivity for selective transformations. It functions as a key intermediate in the synthesis of pharmaceutical scaffolds and heterocyclic systems, particularly under mild hydrolysis or nucleophilic substitution conditions. Its bench-stable nature and compatibility with standard purification methods make it well-suited for scalable laboratory workflows.

General Information

CAS No. 52798-01-3
Cat. No. CS-W005340
Purity ≥96%
MDL No. MFCD02181140
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉NO₂
Molecular Weight 175.19
Synonym(s) None
SMILES N#CC1=CC=C(C=C1)CC(=O)OC

Computational Chemistry Data

TPSA 50.09
LogP 1.27378
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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-H332-H335
Precautionary Statements : P280-P305+P351+P338-P310

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl (4-cyanophenyl)acetate

CAS No. 52798-01-3

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