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CS-W001157 4
Total: USD 88.00

(E)-tert-Butyl 4-(3-ethoxy-3-oxoprop-1-en-1-yl)piperidine-1-carboxylate

  • CAS No. 198895-61-3

  • Cat. No. CS-0612166
  • Purity≥98%
  • MDL No.None

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

(E)-tert-Butyl 4-(3-ethoxy-3-oxoprop-1-en-1-yl)piperidine-1-carboxylate|CS-0612166

Structure of 198895-61-3

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General Information

  • CAS No. 198895-61-3
  • Cat. No. CS-0612166
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₅NO₄
  • Molecular Weight 283.36
  • Synonym(s) None
  • SMILES O=C(N1CCC(/C=C/C(OCC)=O)CC1)OC(C)(C)C

Synthesis

  • Route1

    References

    • SHIONOGI andamp;; CO., LTD.; MIKAMIYAMA, Hidenori; MATSUMURA, Akira; MASUI, Moriyasu; ANAN, Kosuke; HATA, Kayoko Patent: WO2010/114181 A1, 2010 ; Location in patent: Page/Page column 96 ; WO 2010/114181 A1
  • Route2

    References

    • Hoekstra, William J.; Maryanoff, Bruce E.; Damiano, Bruce P.; Andrade-Gordon, Patricia; Cohen, Judith H.; Costanzo, Michael J.; Haertlein, Barbara J.; Hecker, Leonard R.; Hulshizer, Becky L.; Kauffman, Jack A.; Keane, Patricia; McComsey, David F.; Mitchell, John A.; Scott, Lorraine; Shah, Rekha D.; Yabut, Stephen C. Journal of Medicinal Chemistry, 1999 , vol. 42, # 25 p. 5254 - 5265
  • Route3

    References

    • Hoekstra, William J.; Maryanoff, Bruce E.; Damiano, Bruce P.; Andrade-Gordon, Patricia; Cohen, Judith H.; Costanzo, Michael J.; Haertlein, Barbara J.; Hecker, Leonard R.; Hulshizer, Becky L.; Kauffman, Jack A.; Keane, Patricia; McComsey, David F.; Mitchell, John A.; Scott, Lorraine; Shah, Rekha D.; Yabut, Stephen C. Journal of Medicinal Chemistry, 1999 , vol. 42, # 25 p. 5254 - 5265

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   55.84
  • LogP   2.7528
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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