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CS-W001157 4
Total: USD 88.00

Bis(propan-2-yl) [(4-methylbenzenesulfonyl)oxy]methanephosphonate

  • CAS No. 35717-98-7

  • Cat. No. CS-0248097
  • Purity95+%
  • MDL No.None

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

Bis(propan-2-yl) [(4-methylbenzenesulfonyl)oxy]methanephosphonate|CS-0248097

Structure of 35717-98-7

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General Information

  • CAS No. 35717-98-7
  • Cat. No. CS-0248097
  • Purity 95+%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₃O₆PS
  • Molecular Weight 350.37
  • Synonym(s) Phosphonicacid, [[[(4-methylphenyl)sulfonyl]oxy]methyl]-, bis(1-methylethyl) ester (9CI)
  • SMILES CC(C)OP(=O)(COS(=O)(=O)C1=CC=C(C)C=C1)OC(C)C

Synthesis

  • Route1
    • Diisopropyl (hydroxymethyl)phosphonate|CS-0871034
      24630-68-0
    • null|null
      98-59-9
    • ~93%
    • Bis(propan-2-yl) [(4-methylbenzenesulfonyl)oxy]methanephosphonate|CS-0248097
      35717-98-7

    References

    • Hammerschmidt, Friedrich; Kaehlig, Hanspeter; Mueller, Norbert Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1991 , # 2 p. 365 - 369
  • Route2
    • null|null
      691-96-3
    • ~%
    • Bis(propan-2-yl) [(4-methylbenzenesulfonyl)oxy]methanephosphonate|CS-0248097
      35717-98-7

    References

    • Kelley; Linn; McLean; Tuttle Journal of Medicinal Chemistry, 1993 , vol. 36, # 22 p. 3455 - 3463
  • Route3

    References

    • METABASIS THERAPEUTICS, INC.; BOYER, Serge H.; ERION, Mark D.; ITO, Bruce; JACINTHO, Jason Patent: WO2011/38207 A1, 2011 ;

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   78.9
  • LogP   3.70092
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   8

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