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CS-W001157 4
Total: USD 88.00

Ethyl 2-(4-phenylcyclohexylidene)acetate

  • CAS No. 115880-04-1

  • Cat. No. CS-B0336
  • Molecule weight244.33
  • Purity≥95%
  • MDL No.MFCD13181210

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

Ethyl 2-(4-phenylcyclohexylidene)acetate|CS-B0336

Structure of 115880-04-1

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General Information

  • CAS No. 115880-04-1
  • Cat. No. CS-B0336
  • Purity ≥95%
  • MDL No. MFCD13181210
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₀O₂
  • Molecular Weight 244.33
  • Synonym(s) Acetic acid, 2-(4-phenylcyclohexylidene)-, ethyl ester
  • SMILES O=C(OCC)/C=C1CCC(CC/1)C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Yeh, Vince S. C.; Beno, David W. A.; Brodjian, Sevan; Brune, Michael E.; Cullen, Steven C.; Dayton, Brian D.; Dhaon, Madhup K.; Falls, Hugh D.; Gao, Ju; Grihalde, Nelson; Hajduk, Philip; Hansen, T. Matthew; Judd, Andrew S.; King, Andrew J.; Klix, Russel C.; Larson, Kelly J.; Lau, Yau Y.; Marsh, Kennan C.; Mittelstadt, Scott W.; Plata, Dan; Rozema, Michael J.; Segreti, Jason A.; Stoner, Eric J.; Voorbach, Martin J.; Wang, Xiaojun; Xin, Xili; Zhao, Gang; Collins, Christine A.; Cox, Bryan F.; Reilly, Regina M.; Kym, Philip R.; Souers, Andrew J. Journal of Medicinal Chemistry, 2012 , vol. 55, # 4 p. 1751 - 1757
  • Route2
    • null|null
      623-73-4
    • In-stock
      4-Phenylcyclohexanone|CS-W008596
      4894-75-1
    • ~91%
    • In-stock
      Ethyl 2-(4-phenylcyclohexylidene)acetate|CS-B0336
      115880-04-1

    References

    • Chen, Ying; Huang, Lingyu; Zhang, X. Peter Organic Letters, 2003 , vol. 5, # 14 p. 2493 - 2496
  • Route3

    References

    • Wu, Jinlong; Wu, Huafeng; Wei, Shaoyong; Dai, Wei-Min Tetrahedron Letters, 2004 , vol. 45, # 22 p. 4401 - 4404

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.8337
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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