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CS-W001157 4
Total: USD 88.00

Ethyl trans-4-oxo-2-butenoate

  • CAS No. 2960-66-9

  • Cat. No. CS-W020184
  • Purity≥98%
  • MDL No.MFCD00236170

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

Ethyl trans-4-oxo-2-butenoate|CS-W020184

Structure of 2960-66-9

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General Information

  • CAS No. 2960-66-9
  • Cat. No. CS-W020184
  • Purity ≥98%
  • MDL No. MFCD00236170
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₃
  • Molecular Weight 128.13
  • Synonym(s) trans-4-Oxo-2-butenoic acid ethyl ester
  • SMILES O=C(OCC)/C=C/C=O

Description

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4---one has a number of different scientific research applications, including the synthesis of drugs, dyes, and other organic compounds. It can also be used as a ligand in coordination chemistry, and as a catalyst in organic reactions. It has also been used in the synthesis of a number of different nanomaterials, including carbon nanotubes and graphene.

Synthesis

  • Route1
    • Ethyl hexa-2,4-dienoate Sorbic acid  Impurity|CS-0229282
      2396-84-1
    • ~93%
    • In-stock
      Ethyl trans-4-oxo-2-butenoate|CS-W020184
      2960-66-9

    References

    • Journal of the American Chemical Society, , vol. 131, p. 3470 - 3471
  • Route2
    • null|null
      2960-65-8
    • ~89%
    • In-stock
      Ethyl trans-4-oxo-2-butenoate|CS-W020184
      2960-66-9

    References

    • Synthesis, , # 12 p. 1021 - 1023
  • Route3
    • null|null
      36680-28-1
    • ~53%
    • Ethyl (e)-4-hydroxybut-2-enoate|CS-0683674
      10080-68-9
    • In-stock
      Ethyl trans-4-oxo-2-butenoate|CS-W020184
      2960-66-9

    References

    • Liebigs Annalen der Chemie, , # 6 p. 1216 - 1219

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2922
Class : 8 (6.1)
Packing Group : Ⅲ
Hazard Statements : H300-H314-H317
Precautionary Statements : P260-P261-P264-P270-P272-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P362+P364-P363-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.3046
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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