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tert-Butyl (2-oxopiperidin-3-yl)carbamate

  • CAS No. 99780-98-0

  • Cat. No. CS-0039187
  • Purity≥95%
  • MDL No.MFCD13190662

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

tert-Butyl (2-oxopiperidin-3-yl)carbamate|CS-0039187

Structure of 99780-98-0

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General Information

  • CAS No. 99780-98-0
  • Cat. No. CS-0039187
  • Purity ≥95%
  • MDL No. MFCD13190662
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈N₂O₃
  • Molecular Weight 214.26
  • Synonym(s) tert-Butyl (2-oxopiperidin-3-yl)carbamate
  • SMILES O=C(OC(C)(C)C)NC1C(NCCC1)=O

Synthesis

  • Route1

    References

    • Thorsett, Eugene D.; Harris, Elbert E.; Aster, Susan D.; Peterson, Elwood R.; Snyder, James P.; et al. Journal of Medicinal Chemistry, 1986 , vol. 29, # 2 p. 251 - 260
  • Route2

    References

    • GILEAD SCIENCES, INC.; GUO, Hongyan; KATO, Darryl; KIRSCHBERG, Thorsten, A.; LIU, Hongtao; LINK, John, O.; MITCHELL, Michael, L.; PARRISH, Jay, P.; SQUIRES, Neil; SUN, Jianyu; TAYLOR, James; BACON, Elizabeth, M.; CANALES, Eda; CHO, Aesop; KIM, Choung, U.; COTTELL, Jeromy, J.; DESAI, Manoj, C.; HALCOMB, Randall, L.; KRYGOWSKI, Evan, S.; LAZERWITH, Scott, E.; LIU, Qi; MACKMAN, Richard; PYUN, Hyung-Jung; SAUGIER, Joseph, H.; TRENKLE, James, D.; TSE, Winston, C.; VIVIAN, Randall, W.; SCHROEDER, Scott, D.; WATKINS, William, J.; XU, Lianhong; YANG, Zheng-Yu; KELLAR, Terry; SHENG, Xiaoning; CLARKE, Michael, O'Neil, Hanrahan; CHOU, Chien-hung; GRAUPE, Michael; JIN, Haolun; MCFADDEN, Ryan; MISH, Michael, R.; METOBO, Samuel, E.; PHILLIPS, Barton, W.; VENKATARAMANI, Chandrasekar Patent: WO2010/132601 A1, 2010 ; Location in patent: Page/Page column 504 ;
  • Route3

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED; MATSUMOTO, Shigemitsu; ONO, Koji; TOMINARI, Yusuke; KATOH, Taisuke; MIWA, Kazuhiro; HASUOKA, Atsushi; IMAMURA, Shinichi Patent: WO2013/18929 A1, 2013 ; Location in patent: Paragraph 0789 ; WO 2013/018929 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.43
  • LogP   0.7897
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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