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Methyl 4-(methanesulfonylmethyl)benzoate

  • CAS No. 160446-22-0

  • Cat. No. CS-0207360
  • Molecule weight228.26
  • Purity≥98%
  • MDL No.MFCD00051693

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

Methyl 4-(methanesulfonylmethyl)benzoate|CS-0207360

Structure of 160446-22-0

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General Information

  • CAS No. 160446-22-0
  • Cat. No. CS-0207360
  • Purity ≥98%
  • MDL No. MFCD00051693
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₄S
  • Molecular Weight 228.26
  • Synonym(s) Methyl 4-(methylsulfonylmethyl)benzoate
  • SMILES COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C

Synthesis

  • Route1

    References

    • The Dupont Merck Pharmaceutical Company Patent: US5879657 A1, 1999 ;
  • Route2

    References

    • Bristol-Myers Squibb Pharma Company Patent: EP1293214 A2, 2003 ;
  • Route3
    • null|null
      67003-49-0
    • ~91%
    • Methyl 4-(methanesulfonylmethyl)benzoate|CS-0207360
      160446-22-0

    References

    • Chand, Pooran; Babu, Yarlagadda S.; Bantia, Shanta; Chu, Naiming; Cole, L. Brent; Kotian, Pravin L.; Laver, W. Graeme; Montgomery, John A.; Pathak, Ved P.; Petty, Sandra L.; Shrout, David P.; Walsh, David A.; Walsh, Gerald M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 25 p. 4030 - 4052

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   1.0178
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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