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CS-W001157 4
Total: USD 88.00

tert-Butyl 3-cyano-4-oxo-pyrrolidine-1-carboxylate

  • CAS No. 175463-32-8

  • Cat. No. CS-W002764
  • Purity≥98%
  • MDL No.MFCD01318456

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

tert-Butyl 3-cyano-4-oxo-pyrrolidine-1-carboxylate|CS-W002764

Structure of 175463-32-8

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General Information

  • CAS No. 175463-32-8
  • Cat. No. CS-W002764
  • Purity ≥98%
  • MDL No. MFCD01318456
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄N₂O₃
  • Molecular Weight 210.23
  • Synonym(s) Tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate
  • SMILES N#CC1CN(CC1=O)C(=O)OC(C)(C)C

Synthesis

  • Route1
    • Methyl 2-{[(tert-butoxy)carbonyl](2-cyanoethyl)aminoacetate|CS-0757087
      266353-19-9
    • ~80%
    • In-stock
      tert-Butyl 3-cyano-4-oxo-pyrrolidine-1-carboxylate|CS-W002764
      175463-32-8

    References

    • Fancelli, Daniele; Berta, Daniela; Bindi, Simona; Cameron, Alexander; Cappella, Paolo; Carpinelli, Patrizia; Catana, Cornel; Forte, Barbara; Giordano, Patrizia; Giorgini, Maria Laura; Mantegani, Sergio; Marsiglio, Aurelio; Meroni, Maurizio; Moll, Juergen; Pittala, Valeria; Roletto, Fulvia; Severino, Dino; Soncini, Chiara; Storici, Paola; Tonani, Roberto; Varasi, Mario; Vulpetti, Anna; Vianello, Paola Journal of Medicinal Chemistry, 2005 , vol. 48, # 8 p. 3080 - 3084
  • Route2
    • Ethyl n-(tert-butoxycarbonyl)-n-(2-cyanoethyl)glycinate|CS-0661405
      266353-18-8
    • ~74%
    • In-stock
      tert-Butyl 3-cyano-4-oxo-pyrrolidine-1-carboxylate|CS-W002764
      175463-32-8

    References

    • Guo, Xin; Bai, Xiao-Guang; Li, Yi-Liang; An, Zhi-Jiao; Xu, Le-Xing; Han, Li-You; Liu, Ming-Liang; Guo, Hui-Yuan; Wang, Yu-Cheng Archiv der Pharmazie, 2011 , vol. 344, # 8 p. 523 - 529
  • Route3
    • Ethyl (2-cyanoethyl)glycinate|CS-0299167
      44981-94-4
    • ~%
    • In-stock
      tert-Butyl 3-cyano-4-oxo-pyrrolidine-1-carboxylate|CS-W002764
      175463-32-8

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 13, # 24 p. 4399 - 4403

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   70.4
  • LogP   0.94598
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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