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CS-W001157 4
Total: USD 88.00

3-(Ethoxycarbonyl)-4,4-diphenylbut-3-enoic acid

  • CAS No. 5438-22-2

  • Cat. No. CS-0365785
  • Molecule weight310.34
  • Purity95+%
  • MDL No.None

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

3-(Ethoxycarbonyl)-4,4-diphenylbut-3-enoic acid|CS-0365785

Structure of 5438-22-2

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General Information

  • CAS No. 5438-22-2
  • Cat. No. CS-0365785
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₁₈O₄
  • Molecular Weight 310.34
  • Synonym(s) Butanedioic acid, 2-(diphenylmethylene)-, 1-ethyl ester
  • SMILES CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)O

Synthesis

  • Route1
    • null|null
      157494-69-4
    • ~92%
    • 3-(Ethoxycarbonyl)-4,4-diphenylbut-3-enoic acid|CS-0365785
      5438-22-2

    References

    • Basak, Amit; Bhattacharya, Gautam; Palit, Sunanda K. Bulletin of the Chemical Society of Japan, 1997 , vol. 70, # 10 p. 2509 - 2513
  • Route2

    References

    • Muraoka, Osamu; Tanabe, Genzoh; Sano, Kyohko; Minematsu, Toshie; Momose, Takefumi Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994 , # 13 p. 1833 - 1846
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 22, p. 735,737 Journal of the American Chemical Society, , vol. 69, p. 74,77 Journal of the American Chemical Society, , vol. 70, p. 418

Safety Information

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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

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   3.5263
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   6

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