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Benzyl (S)-2-(chloromethyl)pyrrolidine-1-carboxylate

  • CAS No. 61350-66-1

  • Cat. No. CS-0171380
  • Molecule weight253.72
  • Purity≥97%
  • MDL No.None

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

Benzyl (S)-2-(chloromethyl)pyrrolidine-1-carboxylate|CS-0171380

Structure of 61350-66-1

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General Information

  • CAS No. 61350-66-1
  • Cat. No. CS-0171380
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆ClNO₂
  • Molecular Weight 253.72
  • Synonym(s) (S)-1-N-Cbz-2-chloromethyl-pyrrolidine
  • SMILES C1=CC=C(C=C1)COC(=O)N2CCC[C@H]2CCl

Synthesis

  • Route1
    • (2s)-2-(Chloromethyl)pyrrolidine hydrochloride|CS-0215002
      35120-33-3
    • null|null
      501-53-1
    • ~92%
    • Benzyl (S)-2-(chloromethyl)pyrrolidine-1-carboxylate|CS-0171380
      61350-66-1

    References

    • Cowart, Marlon; Pratt, John K.; Stewart, Andrew O.; Bennani, Youssef L.; Esbenshade, Timothy A.; Hancock, Arthur A. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 3 p. 689 - 693
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 3 p. 689 - 693
  • Route3

    References

    • Angewandte Chemie - International Edition, , vol. 51, # 6 p. 1405 - 1407

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   3.0264
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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