Methyl 3-(4-methoxyphenyl)-3-oxo-propionate

Name: Methyl 3-(4-methoxyphenyl)-3-oxo-propionate
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CAS No. 22027-50-5
Cat. No. CS-W022813
Purity≥95%
MDL No.MFCD01082033

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Methyl 3-(4-methoxyphenyl)-3-oxo-propionate|CS-W022813

Structure of 22027-50-5

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General Information

CAS No. 22027-50-5
Cat. No. CS-W022813
Purity ≥95%
MDL No. MFCD01082033
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂O₄
Molecular Weight None
Synonym(s) Mthyl4-Methoxybenzoylacetate
SMILES O=C(OC)CC(C1=CC=C(OC)C=C1)=O

Description

Methyl 3-(4-methoxyphenyl)-3-oxo-propionate features a conjugated enone system flanked by a methoxy-substituted phenyl group and an ester moiety, enabling participation in Michael additions and aldol-type cyclizations. This electron-rich scaffold integrates readily into complex molecular architectures under mild conditions.

Application

Methyl 3-(4-methoxyphenyl)-3-oxo-propionate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted phenylalkanoic acid derivatives. Its α,β-unsaturated ester functionality facilitates Michael additions and conjugate reductions, while the methoxy group provides ortho-directing capability for electrophilic aromatic substitution. The compound exhibits excellent bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis of complex molecular architectures.

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 52.6
LogP 1.441
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-(4-methoxyphenyl)-3-oxo-propionate

CAS No. 22027-50-5

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