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CS-W001157 4
Total: USD 88.00

3-Methyl-1-(phenylsulfanyl)butan-2-one

  • CAS No. 71221-49-3

  • Cat. No. CS-0232587
  • Molecule weight194.29
  • Purity≥95%
  • MDL No.None

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

3-Methyl-1-(phenylsulfanyl)butan-2-one|CS-0232587

Structure of 71221-49-3

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General Information

  • CAS No. 71221-49-3
  • Cat. No. CS-0232587
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄OS
  • Molecular Weight 194.29
  • Synonym(s) 3-Methyl-1-phenylsulfanyl-butan-2-one
  • SMILES CC(C)C(CSC1=CC=CC=C1)=O

Synthesis

  • Route1
    • null|null
      108-98-5
    • null|null
      19967-55-6
    • ~68%
    • 3-Methyl-1-(phenylsulfanyl)butan-2-one|CS-0232587
      71221-49-3

    References

    • Matthews, Jay M.; Qin, Ning; Colburn, Raymond W.; Dax, Scott L.; Hawkins, Mike; McNally, James J.; Reany, Laura; Youngman, Mark A.; Baker, Judith; Hutchinson, Tasha; Liu, Yi; Lubin, Mary Lou; Neeper, Michael; Brandt, Michael R.; Stone, Dennis J.; Flores, Christopher M. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 8 p. 2922 - 2926
  • Route2
    • null|null
      62087-36-9
    • null|null
      108-98-5
    • ~71%
    • 3-Methyl-1-(phenylsulfanyl)butan-2-one|CS-0232587
      71221-49-3

    References

    • Miyake, Hideyoshi; Yamamura, Kimiaki Bulletin of the Chemical Society of Japan, 1986 , vol. 59, p. 89 - 92
  • Route3
    • null|null
      547-63-7
    • null|null
      30536-77-7
    • ~77%
    • 3-Methyl-1-(phenylsulfanyl)butan-2-one|CS-0232587
      71221-49-3

    References

    • Ager, David J. Tetrahedron Letters, 1981 , vol. 22, # 29 p. 2803 - 2806

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.0038
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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