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CS-W001157 4
Total: USD 88.00

Methyl (E)-3-(3-formyl-4-hydroxyphenyl)acrylate

  • CAS No. 417712-26-6

  • Cat. No. CS-0200423
  • Purity≥97%
  • MDL No.MFCD22575202

*For research and further manufacturing use only, not for direct human use.

Methyl (E)-3-(3-formyl-4-hydroxyphenyl)acrylate|CS-0200423

Structure of 417712-26-6

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General Information

  • CAS No. 417712-26-6
  • Cat. No. CS-0200423
  • Purity ≥97%
  • MDL No. MFCD22575202
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₄
  • Molecular Weight 206.19
  • Synonym(s) None
  • SMILES O=C(OC)/C=C/C1=CC=C(O)C(C=O)=C1

Description

Methyl (E)-3-(3-formyl-4-hydroxyphenyl)acrylate features a conjugated enone system flanked by a phenolic hydroxyl and aldehyde functional group, enabling direct participation in Diels-Alder cycloadditions and nucleophilic addition reactions. The ester moiety enhances solubility in polar organic solvents while maintaining stability under standard bench conditions. This scaffold serves as a key intermediate for bioactive molecule synthesis.

Application

Methyl (E)-3-(3-formyl-4-hydroxyphenyl)acrylate serves as a versatile building block for the synthesis of bioactive heterocycles and natural product analogs. The conjugated enal–ester system enables reliable Michael additions, aldol condensations, and transition-metal-catalyzed coupling reactions. The phenolic hydroxyl group provides a site for selective derivatization, while the aldehyde functionality supports reductive amination and oxime formation. Bench-stable and amenable to standard purification methods, it facilitates efficient access to complex scaffolds in medicinal chemistry and materials science applications.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.3909
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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