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CS-W001157 4
Total: USD 88.00

3-(Methylsulfonyl)propyl 4-methylbenzenesulfonate

  • CAS No. 263400-88-0

  • Cat. No. CS-M1209
  • Molecule weight292.37
  • Purity≥98%
  • MDL No.MFCD22124592

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

3-(Methylsulfonyl)propyl 4-methylbenzenesulfonate|CS-M1209

Structure of 263400-88-0

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General Information

  • CAS No. 263400-88-0
  • Cat. No. CS-M1209
  • Purity ≥98%
  • MDL No. MFCD22124592
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆O₅S₂
  • Molecular Weight 292.37
  • Synonym(s) toluene-4-sulfonic acid 3-Methanesulfonyl-propyl ester-3
  • SMILES O=S(C(C=C1)=CC=C1C)(OCCCS(=O)(C)=O)=O

Synthesis

  • Route1
    • 3-(Methylthio)propyl 4-methylbenzenesulfonate|CS-M1208
      187722-18-5
    • ~95%
    • In-stock
      3-(Methylsulfonyl)propyl 4-methylbenzenesulfonate|CS-M1209
      263400-88-0

    References

    • Negoro, Nobuyuki; Sasaki, Shinobu; Mikami, Satoshi; Ito, Masahiro; Tsujihata, Yoshiyuki; Ito, Ryo; Suzuki, Masami; Takeuchi, Koji; Suzuki, Nobuhiro; Miyazaki, Junichi; Santou, Takashi; Odani, Tomoyuki; Kanzaki, Naoyuki; Funami, Miyuki; Morohashi, Akio; Nonaka, Masami; Matsunaga, Shinichiro; Yasuma, Tsuneo; Momose, Yu Journal of Medicinal Chemistry, 2012 , vol. 55, # 8 p. 3960 - 3974
  • Route2
    • In-stock
      3-(Methylsulfonyl)propan-1-ol|CS-W004952
      2058-49-3
    • null|null
      98-59-9
    • ~%
    • In-stock
      3-(Methylsulfonyl)propyl 4-methylbenzenesulfonate|CS-M1209
      263400-88-0

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; ECKHARDT, Matthias; FRATTINI, Sara; HAMPRECHT, Dieter; HIMMELSBACH, Frank; LANGKOPF, Elke; LINGARD, Iain; PETERS, Stefan; WAGNER, Holger Patent: WO2013/144098 A1, 2013 ; Location in patent: Page/Page column 96 ;
  • Route3
    • null|null
      98-59-9
    • ~%
    • In-stock
      3-(Methylsulfonyl)propyl 4-methylbenzenesulfonate|CS-M1209
      263400-88-0

    References

    • MERCK SHARP and DOHME CORP.; HAGMANN, William K.; NARGUND, Ravi P.; BLIZZARD, Timothy A.; JOSIEN, Hubert; BIJU, Purakkattle; PLUMMER, Christopher W.; DANG, Qun; LI, Bing; LIN, Linus S.; CUI, Mingxiang; HU, Bin; HAO, Jinlai; CHEN, Zhengxia Patent: WO2014/19186 A1, 2014 ; Title/Abstract Full Text Show Details MERCK SHARP and DOHME CORP.; HAGMANN, William, K.; NARGUND, Ravi, P.; BLIZZARD, Timothy, A.; JOSIEN, Hubert; BIJU, Purakkattle; PLUMMER, Christopher, W.; DANG, Qun; LI, Bing; LIN, Linus, S.; CUI, Mingxiang; HU, Bin; HAO, Jinglai; CHEN, Zhengxia Patent: WO2014/22528 A1, 2014 ;

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   77.51
  • LogP   1.13502
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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