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CS-W001157 4
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1-Benzhydrylazetidin-3-one

  • CAS No. 40320-60-3

  • Cat. No. CS-W002715
  • Purity≥97%
  • MDL No.MFCD00964539

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

1-Benzhydrylazetidin-3-one|CS-W002715

Structure of 40320-60-3

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General Information

  • CAS No. 40320-60-3
  • Cat. No. CS-W002715
  • Purity ≥97%
  • MDL No. MFCD00964539
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₅NO
  • Molecular Weight 237.30
  • Synonym(s) 3-Azetidinone, 1-(diphenylmethyl)-
  • SMILES O=C1CN(C(C2=CC=CC=C2)C3=CC=CC=C3)C1

Application

1-Benzhydrylazetidin-3-one serves as a stable, bench-ready building block for the synthesis of bioactive azetidine-containing scaffolds. Its rigid benzhydryl group enhances metabolic stability and provides favorable steric and electronic properties. The ketone functionality enables direct functionalization via nucleophilic addition or reductive amination, facilitating access to diverse substituted azetidines. This compound functions effectively in standard coupling and cyclization protocols, offering high yield and reproducibility in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • 1-Benzhydryl-3-azetidinol hydrochloride|CS-W002514
      90604-02-7
    • ~82%
    • In-stock
      1-Benzhydrylazetidin-3-one|CS-W002715
      40320-60-3

    References

    • Pfizer Inc. Patent: US2010/190771 A1, 2010 ; Location in patent: Page/Page column 38 ;
  • Route2

    References

    • Li, Bryan; Magee, Thomas V.; Buzon, Richard A.; Widlicka, Daniel W.; Bill, Dave R.; Brandt, Thomas; Cao, Xiaoping; Coutant, Michael; Dou, Haijian; Granskog, Karl; Flanagan, Mark E.; Hayward, Cheryl M.; Li, Bin; Liu, Fengwei; Liu, Wei; Nguyen, Thuy-Trinh; Raggon, Jeffrey W.; Rose, Peter; Rainville, Joseph; Reilly, Usa Datta; Shen, Yue; Sun, Jianmin; Wilcox, Glenn E. Organic Process Research and Development, 2012 , vol. 16, # 5 p. 788 - 797
  • Route3

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1762568 A1, 2007 ; Location in patent: Page/Page column 37 ;

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   20.31
  • LogP   2.6607
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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