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CS-W001157 4
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(S)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetonitrile

  • CAS No. 133099-11-3

  • Cat. No. CS-M0898
  • Molecule weight262.35
  • Purity≥98%
  • MDL No.MFCD09955078

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

(S)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetonitrile|CS-M0898

Structure of 133099-11-3

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General Information

  • CAS No. 133099-11-3
  • Cat. No. CS-M0898
  • Purity ≥98%
  • MDL No. MFCD09955078
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₈N₂
  • Molecular Weight 262.35
  • Synonym(s) 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide
  • SMILES N#CC(C1=CC=CC=C1)([C@H]2CNCC2)C3=CC=CC=C3

Synthesis

  • Route1
    • null|null
      851645-39-1
    • ~99%
    • (S)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetonitrile|CS-M0898
      133099-11-3

    References

    • Theravance, Inc. Patent: US2005/277688 A1, 2005 ; Location in patent: Page/Page column 11 ; US 20050277688 A1
  • Route2
    • null|null
      197964-14-0
    • ~19%
    • (S)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetonitrile|CS-M0898
      133099-11-3

    References

    • MEDICHEM, S.A. Patent: WO2009/153649 A1, 2009 ; Location in patent: Page/Page column 11; 12 ;
  • Route3
    • null|null
      1189753-52-3
    • ~97%
    • (S)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetonitrile|CS-M0898
      133099-11-3

    References

    • Pramanik, Chinmoy; Bapat, Kiran; Chaudhari, Ashok; Tripathy, Narendra K.; Gurjar, Mukund K. Organic Process Research and Development, 2012 , vol. 16, # 10 p. 1591 - 1597

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   35.82
  • LogP   3.10578
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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