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(E)-Methyl 4-methoxybut-2-enoate

  • CAS No. 13168-99-5

  • Cat. No. CS-0528723
  • Molecule weight130.14
  • Purity≥98%
  • MDL No.MFCD03789600

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

(E)-Methyl 4-methoxybut-2-enoate|CS-0528723

Structure of 13168-99-5

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General Information

  • CAS No. 13168-99-5
  • Cat. No. CS-0528723
  • Purity ≥98%
  • MDL No. MFCD03789600
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₃
  • Molecular Weight 130.14
  • Synonym(s) METHYL(2E)-4-METHOXYBUT-2-ENOATE(WXC09183)
  • SMILES COC/C=C/C(OC)=O

Description

(E)-Methyl 4-methoxybut-2-enoate features a conjugated enoate system with a terminal methyl ester and a para-methoxy substituent, enabling efficient participation in Diels-Alder cycloadditions and Michael additions. This bench-stable, moisture-tolerant reagent integrates readily into synthetic sequences requiring electron-deficient dienophiles or nucleophilic acceptors.

Application

(E)-Methyl 4-methoxybut-2-enoate serves as a versatile Michael acceptor and enol ether building block in synthetic organic chemistry. Its conjugated enoate system enables reliable 1,4-additions with nucleophiles, while the methyl ester and methoxy group offer orthogonal handles for further functionalization. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis of complex carbonyl-containing architectures and heterocyclic scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P370+P378-P403+P233-P403+P235-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   0.362
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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