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(S)-5-Oxo-1-((S)-1-phenylethyl)pyrrolidine-3-carboxylic acid

  • CAS No. 173340-19-7

  • Cat. No. CS-0053258
  • Molecule weight233.26
  • Purity≥97%
  • MDL No.None

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

(S)-5-Oxo-1-((S)-1-phenylethyl)pyrrolidine-3-carboxylic acid|CS-0053258

Structure of 173340-19-7

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General Information

  • CAS No. 173340-19-7
  • Cat. No. CS-0053258
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₃
  • Molecular Weight 233.26
  • Synonym(s) (3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
  • SMILES C[C@H](N1C[C@H](CC1=O)C(O)=O)C1=CC=CC=C1

Synthesis

  • Route1

    References

    • Walker, Daniel P.; Acker, Brad A.; Jacobsen, E. Jon; Wishka, Donn G. Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 1 p. 247 - 257
  • Route2

    References

    • Walker, Daniel Patrick; Piotrowski, David W.; Jacobsen, Eric Jon; Acker, Brad A.; Myers, Jason K.; Groppi JR., Vincent E. Patent: US2003/236279 A1, 2003 ; Location in patent: Page 30 ;
  • Route3

    References

    • Yoshitomi Pharmaceutical Industries, Ltd. Patent: US5864039 A1, 1999 ; US 5864039 A

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

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Computational Chemistry Data

  • TPSA   57.61
  • LogP   1.6807
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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