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CS-W001157 4
Total: USD 88.00

1-(Methylsulfonyl)propan-2-one

  • CAS No. 5000-46-4

  • Cat. No. CS-0106965
  • Purity≥97%
  • MDL No.MFCD00014745

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

1-(Methylsulfonyl)propan-2-one|CS-0106965

Structure of 5000-46-4

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General Information

  • CAS No. 5000-46-4
  • Cat. No. CS-0106965
  • Purity ≥97%
  • MDL No. MFCD00014745
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₈O₃S
  • Molecular Weight 136.17
  • Synonym(s) Methylsulphonylacetone
  • SMILES CC(CS(=O)(C)=O)=O

Description

Methanesulfonylacetone is a sulfonyl group-containing active methylene compound. It can react with BaylisHillman acetates in dimethylformamide/potassium carbonate system to form ortho-hydroxyacetophenone derivatives.Methanesulfonylacetone may be used in the preparation of 6-bromo-3-methanesulfonyl-2-methyl-quinolin-4-ol.

Synthesis

  • Route1
    • 1-(Methylthio)propan-2-one|CS-0206376
      14109-72-9
    • ~99%
    • In-stock
      1-(Methylsulfonyl)propan-2-one|CS-0106965
      5000-46-4

    References

    • Yang, Chuanbo; Jin, Qingping; Zhang, Hua; Liao, Jian; Zhu, Jin; Yu, Bin; Deng, Jingen Green Chemistry, 2009 , vol. 11, # 9 p. 1401 - 1405
  • Route2
    • In-stock
      Sodium methanesulfinate|CS-0019422
      20277-69-4
    • null|null
      78-95-5
    • ~74%
    • In-stock
      1-(Methylsulfonyl)propan-2-one|CS-0106965
      5000-46-4

    References

    • Gladkov, Eugene S.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.; Shishkina, Svetlana V.; Dallinger, Doris; Kappe, C. Oliver Heterocycles, 2007 , vol. 73, # C p. 469 - 480
  • Route3
    • In-stock
      Sodium methanesulfinate|CS-0019422
      20277-69-4
    • null|null
      598-31-2
    • ~92%
    • In-stock
      1-(Methylsulfonyl)propan-2-one|CS-0106965
      5000-46-4

    References

    • Suryakiran; Reddy, T. Srikanth; Ashalatha; Lakshman; Venkateswarlu Tetrahedron Letters, 2006 , vol. 47, # 23 p. 3853 - 3856

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   51.21
  • LogP   -0.38
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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