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CS-W001157 4
Total: USD 88.00

(E)-Ethyl 3-methyl-4-oxobut-2-enoate

  • CAS No. 62054-49-3

  • Cat. No. CS-W008241
  • Purity≥95%
  • MDL No.MFCD00043412

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

(E)-Ethyl 3-methyl-4-oxobut-2-enoate|CS-W008241

Structure of 62054-49-3

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General Information

  • CAS No. 62054-49-3
  • Cat. No. CS-W008241
  • Purity ≥95%
  • MDL No. MFCD00043412
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₃
  • Molecular Weight 142.15
  • Synonym(s) Ethyl 3-methyl-4-oxocrotonate
  • SMILES O=C(OCC)/C=C(C)/C=O

Description

(E)-Ethyl 3-methyl-4-oxobut-2-enoate features a conjugated enone system with an (E)-configured double bond, enhancing stability and enabling predictable reactivity in Michael additions. The ethyl ester group supports facile manipulation in synthetic sequences, while the methyl substitution provides steric control. This compound serves as a key building block in heterocyclic synthesis and natural product assembly.

Synthesis

  • Route1

    References

    • Magoulas, George E.; Bariamis, Stavros E.; Athanassopoulos, Constantinos M.; Haskopoulos, Anastasios; Dedes, Petros G.; Krokidis, Marios G.; Karamanos, Nikos K.; Kletsas, Dimitris; Papaioannou, Dionissios; Maroulis, George European Journal of Medicinal Chemistry, 2011 , vol. 46, # 2 p. 721 - 737
  • Route2
    • null|null
      83803-81-0
    • ~78%
    • In-stock
      (E)-Ethyl 3-methyl-4-oxobut-2-enoate|CS-W008241
      62054-49-3

    References

    • Curley, Robert W.; Ticoras, Christ J. Synthetic Communications, 1986 , vol. 16, # 6 p. 627 - 632
  • Route3
    • null|null
      65527-84-6
    • ~69%
    • In-stock
      (E)-Ethyl 3-methyl-4-oxobut-2-enoate|CS-W008241
      62054-49-3

    References

    • Le Baut; Sparfel; Clairc; et al. European Journal of Medicinal Chemistry, 1983 , vol. 18, # 5 p. 447 - 455

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.6947
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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