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Ethyl3-cyano-2-phenylpropanoate

  • CAS No. 6840-18-2

  • Cat. No. CS-0172267
  • Molecule weight203.24
  • Purity≥95%
  • MDL No.None

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

Ethyl3-cyano-2-phenylpropanoate|CS-0172267

Structure of 6840-18-2

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General Information

  • CAS No. 6840-18-2
  • Cat. No. CS-0172267
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₂
  • Molecular Weight 203.24
  • Synonym(s) Ethyl 3-cyano-2-phenylpropanoate
  • SMILES CCOC(=O)C(CC#N)C1=CC=CC=C1

Synthesis

  • Route1

    References

    • Chevron Research Company Patent: US4978386 A1, 1990 ;
  • Route2

    References

    • Maekawa, Hirofumi; Murakami, Taro; Miyazaki, Takeshi; Nishiguchi, Ikuzo Chemistry Letters, 2011 , vol. 40, # 4 p. 368 - 369
  • Route3
    • Cinnamonitrile|CS-0166766
      4360-47-8
    • ~%
    • Ethyl3-cyano-2-phenylpropanoate|CS-0172267
      6840-18-2

    References

    • Maekawa, Hirofumi; Murakami, Taro; Miyazaki, Takeshi; Nishiguchi, Ikuzo Chemistry Letters, 2011 , vol. 40, # 4 p. 368 - 369

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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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   50.09
  • LogP   2.24698
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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