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CS-W001157 4
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Methyl (1R,4S)-4-(tert-Butoxycarbonylamino)cyclopent-2-ene-1-carboxylate

  • CAS No. 251326-99-5

  • Cat. No. CS-0184613
  • Molecule weight241.28
  • Purity≥97%
  • MDL No.None

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

Methyl (1R,4S)-4-(tert-Butoxycarbonylamino)cyclopent-2-ene-1-carboxylate|CS-0184613

Structure of 251326-99-5

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General Information

  • CAS No. 251326-99-5
  • Cat. No. CS-0184613
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₄
  • Molecular Weight 241.28
  • Synonym(s) (1R,4S)-4-tert-butoxycarbonylaminocyclopent-2-enecarboxylic acid methyl ester
  • SMILES O=C([C@H]1C=C[C@@H](NC(OC(C)(C)C)=O)C1)OC

Synthesis

  • Route1

    References

    • Butora, Gabor; Goble, Stephen D.; Pastemak, Alexander; Yang, Lihu; Zhou, Changyou; Moyes, Christopher R. Patent: US2008/81803 A1, 2008 ; Location in patent: Page/Page column 37-38 ; US 20080081803 A1
  • Route2

    References

    • Zheng, Changsheng; Cao, Ganfeng; Xia, Michael; Feng, Hao; Glenn, Joseph; Anand, Rajan; Zhang, Ke; Huang, Taisheng; Wang, Anlai; Kong, Ling; Li, Mei; Galya, Laurine; Hughes, Robert O.; Devraj, Rajesh; Morton, Phillip A.; Rogier, D. Joseph; Covington, Maryanne; Baribaud, Fred; Shin, Niu; Scherle, Peggy; Diamond, Sharon; Yeleswaram, Swamy; Vaddi, Kris; Newton, Robert; Hollis, Greg; Friedman, Steven; Metcalf, Brian; Xue, Chu-Biao Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 5 p. 1442 - 1446
  • Route3
    • 2-Azabicyclo[2.2.1]hept-5-en-3-one Abacavir Impurity|CS-0229666
      49805-30-3
    • ~%
    • Methyl (1R,4S)-4-(tert-Butoxycarbonylamino)cyclopent-2-ene-1-carboxylate|CS-0184613
      251326-99-5

    References

    • Qiu, Jian; Pingsterhaus, Joyce M.; Silverman, Richard B. Journal of Medicinal Chemistry, 1999 , vol. 42, # 22 p. 4725 - 4728

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

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   1.6288
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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