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CS-W001157 4
Total: USD 88.00

Benzyl (3S)-3-cyano-1-pyrrolidinecarboxylate

  • CAS No. 193693-69-5

  • Cat. No. CS-0028278
  • Purity≥97%
  • MDL No.MFCD08704693

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

Benzyl (3S)-3-cyano-1-pyrrolidinecarboxylate|CS-0028278

Structure of 193693-69-5

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General Information

  • CAS No. 193693-69-5
  • Cat. No. CS-0028278
  • Purity ≥97%
  • MDL No. MFCD08704693
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₂
  • Molecular Weight 230.26
  • Synonym(s) 1-Pyrrolidinecarboxylic acid, 3-cyano-, phenylmethyl ester, (S)-; (S)-Benzyl 3-cyanopyrrolidine-1-carboxylate
  • SMILES O=C(N1C[C@@H](C#N)CC1)OCC2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      151-50-8
    • Benzyl (R)-3-(tosyloxy)pyrrolidine-1-carboxylate|CS-0607402
      136725-51-4
    • ~80%
    • Benzyl (3S)-3-cyano-1-pyrrolidinecarboxylate|CS-0028278
      193693-69-5

    References

    • Klein, Scott I.; Czekaj, Mark; Molino, Bruce F.; Valeria, Chu Bioorganic and Medicinal Chemistry Letters, 1997 , vol. 7, # 13 p. 1773 - 1778
  • Route2

    References

    • Bioorganic and Medicinal Chemistry, , vol. 11, # 8 p. 1873 - 1881
  • Route3

    References

    • Advanced Synthesis and Catalysis, , vol. 349, # 8-9 p. 1475 - 1480

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   53.33
  • LogP   2.16868
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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