methyl 2-(4-hydroxyphenyl)-2-oxoacetate

Name: methyl 2-(4-hydroxyphenyl)-2-oxoacetate
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CAS No. 38250-16-7
Cat. No. CS-0061796
Molecule weight180.16
Purity≥95%
MDL No.None

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methyl 2-(4-hydroxyphenyl)-2-oxoacetate|CS-0061796

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General Information

CAS No. 38250-16-7
Cat. No. CS-0061796
Purity ≥95%
MDL No. None
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈O₄
Molecular Weight 180.16
Synonym(s) 4-Hydroxyphenyloxoacetic acid methyl ester
SMILES COC(=O)C(=O)C1=CC=C(C=C1)O

Description

Methyl 2-(4-hydroxyphenyl)-2-oxoacetate features a phenolic hydroxyl group and an α-keto ester moiety, enabling direct functionalization in synthetic sequences. This bench-stable compound integrates readily into C–C bond-forming reactions and serves as a key intermediate for bioactive heterocycles and pharmaceutical building blocks.

Application

Methyl 2-(4-hydroxyphenyl)-2-oxoacetate serves as a versatile building block for phenolic β-keto ester synthesis, enabling efficient access to substituted benzopyrans and flavonoid scaffolds. Its bench-stable nature and compatibility with standard condensation reactions facilitate straightforward functionalization at the aromatic ring and enolizable α-position. The molecule functions effectively in Claisen-type cyclizations and provides reliable entry into bioactive heterocyclic frameworks used 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

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Computational Chemistry Data

TPSA 63.6
LogP 0.7479
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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methyl 2-(4-hydroxyphenyl)-2-oxoacetate

CAS No. 38250-16-7

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