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CS-W001157 4
Total: USD 88.00

Ethyl 3-(4-cyanophenyl)propanoate

  • CAS No. 116460-89-0

  • Cat. No. CS-0318762
  • Molecule weight203.24
  • Purity≥97%
  • MDL No.None

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

Ethyl 3-(4-cyanophenyl)propanoate|CS-0318762

Structure of 116460-89-0

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General Information

  • CAS No. 116460-89-0
  • Cat. No. CS-0318762
  • Purity ≥97%
  • 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-(4-cyanophenyl)propionate
  • SMILES CCOC(=O)CCC1=CC=C(C=C1)C#N

Synthesis

  • Route1
    • Ethyl 3-(4-cyanophenyl)prop-2-enoate|CS-0061538
      20655-58-7
    • ~98%
    • Ethyl 3-(4-cyanophenyl)propanoate|CS-0318762
      116460-89-0

    References

    • Takeda Chemical Industries, Ltd. Patent: US6235731 B1, 2001 ;
  • Route2

    References

    • Giovannini; Knochel Journal of the American Chemical Society, 1998 , vol. 120, # 43 p. 11186 - 11187
  • Route3

    References

    • Amatore, Muriel; Gosmini, Corinne; Perichon, Jacques Journal of Organic Chemistry, 2006 , vol. 71, # 16 p. 6130 - 6134

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.05398
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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