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CS-W001157 4
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4-Oxocyclohexyl 4-methylbenzenesulfonate

  • CAS No. 23511-04-8

  • Cat. No. CS-0142288
  • Purity≥98%
  • MDL No.MFCD12761267

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

4-Oxocyclohexyl 4-methylbenzenesulfonate|CS-0142288

Structure of 23511-04-8

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General Information

  • CAS No. 23511-04-8
  • Cat. No. CS-0142288
  • Purity ≥98%
  • MDL No. MFCD12761267
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₄S
  • Molecular Weight 268.33
  • Synonym(s) Cyclohexanone, 4-[[(4-methylphenyl)sulfonyl]oxy]-
  • SMILES O=S(C1=CC=C(C)C=C1)(OC2CCC(CC2)=O)=O

Synthesis

  • Route1
    • 4-Hydroxycyclohexyl 4-methylbenzenesulfonate|CS-0129369
      92121-36-3
    • ~59%
    • 4-Oxocyclohexyl 4-methylbenzenesulfonate|CS-0142288
      23511-04-8

    References

    • Rotstein, David Mark; Melville, Chris Richard Patent: US2008/249087 A1, 2008 ; Location in patent: Page/Page column 30-31 ; US 20080249087 A1
  • Route2
    • null|null
      111859-02-0
    • ~63%
    • 4-Oxocyclohexyl 4-methylbenzenesulfonate|CS-0142288
      23511-04-8

    References

    • Kamijo, Shin; Amaoka, Yuuki; Inoue, Masayuki Synthesis, 2010 , # 14 art. no. E27210SS, p. 2475 - 2489
  • Route3

    References

    • Davies, Ann P.; Legon, A. C.; Millen, D. J.; Roberts, A. J. Journal of Molecular Structure, 1984 , vol. 112, p. 9 - 18

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   2.21202
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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