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1,3-Diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate

  • CAS No. 50790-26-6

  • Cat. No. CS-0235063
  • Molecule weight276.33
  • Purity≥95%
  • MDL No.None

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

1,3-Diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate|CS-0235063

Structure of 50790-26-6

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General Information

  • CAS No. 50790-26-6
  • Cat. No. CS-0235063
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₀O₄
  • Molecular Weight 276.33
  • Synonym(s) Propanedioic acid, 2-phenyl-2-(2-propen-1-yl)-, 1,3-diethyl ester
  • SMILES O=C(OCC)C(CC=C)(C1=CC=CC=C1)C(OCC)=O

Synthesis

  • Route1

    References

    • Necas, David; Tursky, Matyas; Kotora, Martin Journal of the American Chemical Society, 2004 , vol. 126, # 33 p. 10222 - 10223
  • Route2

    References

    • Hut'Ka, Martin; Toma, Stefan Monatshefte fur Chemie, 2007 , vol. 138, # 11 p. 1175 - 1179
  • Route3

    References

    • Sumitomo Chemical Company, Limited Patent: US3996244 A1, 1976 ;

Safety Information

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.6267
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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