Methyl 2-(4-(benzyloxy)phenyl)acetate

CAS No. 68641-16-7
Cat. No. CS-0150707
Purity≥96%
MDL No.MFCD00157061

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Methyl 2-(4-(benzyloxy)phenyl)acetate|CS-0150707

Structure of 68641-16-7

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Description

Methyl 2-(4-(benzyloxy)phenyl)acetate features a benzyloxy-substituted phenyl core paired with a β-ester functional group, enabling direct integration into Suzuki-Miyaura cross-coupling reactions. The benzyl ether moiety offers stability under standard conditions while the ester facilitates selective derivatization. This compound serves as a key intermediate in the synthesis of bioactive arylated compounds and advanced pharmaceutical building blocks.

Application

Methyl 2-(4-(benzyloxy)phenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of biaryl and heterocyclic scaffolds. The benzyloxy group provides orthogonal protection for phenolic functionalities, while the ester moiety supports subsequent transformations including hydrolysis, reduction, and coupling reactions. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for iterative synthesis workflows in medicinal chemistry and process development.

General Information

CAS No. 68641-16-7
Cat. No. CS-0150707
Purity ≥96%
MDL No. MFCD00157061
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₆O₃
Molecular Weight 256.30
Synonym(s) 4-BENZYLOXYPHENYLACETIC ACID METHYL ESTER
SMILES COC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2

Computational Chemistry Data

TPSA 35.53
LogP 2.9811
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 5

Safety Information

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GHS Pictogram :	GHS No : GHS09
Signal Word : Warning	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H303-H400
Precautionary Statements : P273-P391-P501

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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 2-(4-(benzyloxy)phenyl)acetate

CAS No. 68641-16-7

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