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CS-W001157 4
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Cyclobutyl(phenyl)methanone

  • CAS No. 5407-98-7

  • Cat. No. CS-0063896
  • Purity≥95%
  • MDL No.None

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

Cyclobutyl(phenyl)methanone|CS-0063896

Structure of 5407-98-7

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General Information

  • CAS No. 5407-98-7
  • Cat. No. CS-0063896
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O
  • Molecular Weight 160.21
  • Synonym(s) Cyclobutyl phenyl ketone
  • SMILES O=C(C1CCC1)C2=CC=CC=C2

Description

Cyclobutyl(phenyl)methanone features a rigid cyclobutyl ring fused to a benzophenone scaffold, delivering enhanced metabolic stability and steric bulk. This structural motif integrates readily into bioactive scaffolds, offering improved lipophilicity and conformational restraint for medicinal chemistry applications.

Application

Cyclobutyl(phenyl)methanone serves as a versatile synthetic intermediate for constructing cyclobutane-containing aromatic scaffolds. Its ketone functionality enables standard transformations including nucleophilic addition, reduction to secondary alcohols, and participation in Grignard or organolithium reactions. The molecule exhibits bench stability and facilitates straightforward purification, making it suitable for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      860454-56-4
    • ~39%
    • In-stock
      Cyclobutyl(phenyl)methanone|CS-0063896
      5407-98-7

    References

    • Bietti, Massimo; Gente, Giacomo; Salamone, Michela Journal of Organic Chemistry, 2005 , vol. 70, # 17 p. 6820 - 6826
  • Route2
    • null|null
      860454-55-3
    • ~16%
    • In-stock
      Cyclobutyl(phenyl)methanone|CS-0063896
      5407-98-7
    • null|null
      93-55-0

    References

    • Journal of Organic Chemistry, , vol. 70, # 17 p. 6820 - 6826
  • Route3
    • null|null
      544706-15-2
    • ~%
    • In-stock
      Cyclobutyl(phenyl)methanone|CS-0063896
      5407-98-7
    • null|null
      532412-30-9

    References

    • European Journal of Organic Chemistry, , # 4 p. 634 - 641

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   17.07
  • LogP   2.6694
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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