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CS-W001157 4
Total: USD 88.00

(E)-4-(3,4-Dimethoxyphenyl)-4-oxobut-2-enoic acid

  • CAS No. 80937-23-1

  • Cat. No. CS-0302216
  • Purity≥95%
  • MDL No.None

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

(E)-4-(3,4-Dimethoxyphenyl)-4-oxobut-2-enoic acid|CS-0302216

Structure of 80937-23-1

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General Information

  • CAS No. 80937-23-1
  • Cat. No. CS-0302216
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₅
  • Molecular Weight 236.22
  • Synonym(s) Ethyl 4-(3,4-dimethoxyphenyl)-4-oxycrotonate
  • SMILES COC1=C(C=C(C=C1)C(=O)/C=C/C(=O)O)OC

Synthesis

  • Route1
    • null|null
      108-31-6
    • 1,2-Dimethoxybenzene Methoxamine  Impurity|CS-0229041
      91-16-7
    • ~61%
    • (E)-4-(3,4-Dimethoxyphenyl)-4-oxobut-2-enoic acid|CS-0302216
      80937-23-1

    References

    • Sankio Chemical Co., Ltd.; Meiji Seika Kaisha, Ltd. Patent: EP1505054 A1, 2005 ; Location in patent: Page/Page column 9-11 ;
  • Route2
    • Mtb against-2|CS-1647671
      89781-43-1
    • ~%
    • (E)-4-(3,4-Dimethoxyphenyl)-4-oxobut-2-enoic acid|CS-0302216
      80937-23-1

    References

    • EP1505054 A1, ; Page/Page column 24 ;
  • Route3
    • null|null
      108-31-6
    • 1,2-Dimethoxybenzene Methoxamine  Impurity|CS-0229041
      91-16-7
    • ~29%
    • (E)-4-(3,4-Dimethoxyphenyl)-4-oxobut-2-enoic acid|CS-0302216
      80937-23-1
    • null|null
      86690-98-4

    References

    • Chemistry Letters, , vol. 35, # 1 p. 22 - 23

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   72.83
  • LogP   1.5273
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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