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CS-W001157 4
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Benzyl (S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate

  • CAS No. 223785-66-8

  • Cat. No. CS-0572956
  • Purity≥98%
  • MDL No.None

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

Benzyl (S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate|CS-0572956

Structure of 223785-66-8

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General Information

  • CAS No. 223785-66-8
  • Cat. No. CS-0572956
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆BrNO₃
  • Molecular Weight 326.19
  • Synonym(s) N-Cbz-(S)-2-bromoacetylpyrrolidine
  • SMILES C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CBr

Synthesis

  • Route1
    • null|null
      56633-71-7
    • ~97%
    • Benzyl (S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate|CS-0572956
      223785-66-8

    References

    • Bures, Filip; Kulhanek, Jiri Tetrahedron Asymmetry, 2005 , vol. 16, # 7 p. 1347 - 1354
  • Route2

    References

    • ZALICUS PHARMACEUTICALS LTD.; PAJOUHESH, Hassan, A.; HOLLAND, Richard; ZHANG, Lingyun; PAJOUHESH, Hossein, O.; LAMONTAGNE, Jason; WHELAN, Brendan; SHORT, Glenn, F., III.; ROMERO, Donna, L. Patent: WO2013/131018 A1, 2013 ; Location in patent: Page/Page column 43; 44 ;
  • Route3

    References

    • MERCK SHARP and DOHME CORP.; DWYER, Michael P; KEERTIKAR, Kartik M; COBURN, Craig A; WU, Hao; HU, Bin; ZHONG, Bin; ZHANG, Chengren; DAN, Zhigang Patent: WO2012/40924 A1, 2012 ; WO 2012/040924 A1 Title/Abstract Full Text Show Details MERCK SHARP and DOHME CORP.; DWYER, Michael P; KEERTIKAR, Kartik M; COBURN, Craig A; WU, Hao; HU, Bin; ZHONG, Bin; ZHANG, Chengren; DAN, Zhigang; TONG, Ling; YU, Wensheng Patent: WO2012/41227 A1, 2012 ; WO 2012/041227 A1

Safety Information

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GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   2.7516
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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