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(2S,4S)-Tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate

  • CAS No. 426844-76-0

  • Cat. No. CS-0039844
  • Molecule weight214.24
  • Purity≥97%
  • MDL No.MFCD09263600

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

(2S,4S)-Tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate|CS-0039844

Structure of 426844-76-0

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General Information

  • CAS No. 426844-76-0
  • Cat. No. CS-0039844
  • Purity ≥97%
  • MDL No. MFCD09263600
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅FN₂O₂
  • Molecular Weight 214.24
  • Synonym(s) N-t-Boc-cis-4-Fluoro-L-prolinonitrile
  • SMILES O=C(N1[C@H](C#N)C[C@H](F)C1)OC(C)(C)C

Synthesis

  • Route1
    • tert-Butyl (2S,4S)-2-carbamoyl-4-fluoropyrrolidine-1-carboxylate|CS-0058393
      426844-22-6
    • ~99%
    • In-stock
      (2S,4S)-Tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate|CS-0039844
      426844-76-0

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 56, # 8 p. 1110 - 1117
  • Route2

    References

    • EP2246347 A1, ; Page/Page column 39 ;
  • Route3
    • null|null
      1000616-46-5
    • ~%
    • In-stock
      (2S,4S)-Tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate|CS-0039844
      426844-76-0

    References

    • WO2008/1195 A2, ; Page/Page column 46 ; WO 2008/001195 A2

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   1.85748
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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