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CS-W001157 4
Total: USD 88.00

Benzyl 3-cyanopyrrolidine-1-carboxylate

  • CAS No. 188846-99-3

  • Cat. No. CS-0035664
  • Purity≥97%
  • MDL No.None

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

Benzyl 3-cyanopyrrolidine-1-carboxylate|CS-0035664

Structure of 188846-99-3

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General Information

  • CAS No. 188846-99-3
  • Cat. No. CS-0035664
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₂
  • Molecular Weight 230.26
  • Synonym(s) 3-CYANO-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
  • SMILES C1=CC=C(C=C1)COC(=O)N2CCC(C#N)C2

Synthesis

  • Route1
    • Benzyl 3-(tosyloxy)pyrrolidine-1-carboxylate|CS-0707455
      188846-98-2
    • ~83%
    • Benzyl 3-cyanopyrrolidine-1-carboxylate|CS-0035664
      188846-99-3

    References

    • THE TRUSTEES OF PRINCETON UNIVERSITY; ELI LILLY AND COMPANY Patent: EP761668 A2, 1997 ;

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

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