Methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate

Name: Methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate
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CAS No. 848052-89-1
Cat. No. CS-0234152
Molecule weight236.22
Purity≥97%
MDL No.None

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Methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate|CS-0234152

Structure of 848052-89-1

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General Information

CAS No. 848052-89-1
Cat. No. CS-0234152
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₂O₅
Molecular Weight 236.22
Synonym(s) None
SMILES COC1=C(C=CC=C1)C(=O)CC(=O)C(=O)OC

Description

Methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate is a versatile β-keto ester featuring a methoxy-substituted phenyl group that enhances solubility and electronic modulation. This bench-stable compound integrates readily into multistep syntheses, serving as a key building block for heterocyclic frameworks and complex natural product analogs through aldol and Michael-type reactions.

Application

Methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted pyran and chromene scaffolds. Its α,β-unsaturated β-keto ester functionality facilitates Michael additions, aldol reactions, and heterocyclizations under mild conditions. The molecule exhibits good bench stability and is readily purified by flash chromatography, making it well-suited for iterative synthesis workflows in medicinal chemistry and natural product derivatization.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 69.67
LogP 1.0101
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate

CAS No. 848052-89-1

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