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CS-W001157 4
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1,4-Dioxaspiro[4.5]decan-8-yl 4-methylbenzenesulfonate

  • CAS No. 23511-05-9

  • Cat. No. CS-0197850
  • Purity≥98%
  • MDL No.None

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

1,4-Dioxaspiro[4.5]decan-8-yl 4-methylbenzenesulfonate|CS-0197850

Structure of 23511-05-9

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General Information

  • CAS No. 23511-05-9
  • Cat. No. CS-0197850
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀O₅S
  • Molecular Weight 312.38
  • Synonym(s) 1,4-Dioxaspiro[4.5]decan-8-ol, 8-(4-methylbenzenesulfonate)
  • SMILES O=S(=O)(OC1CCC2(OCCO2)CC1)C3=CC=C(C=C3)C

Synthesis

  • Route1

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED; RUPRAH, Parminder, Kaur; MERCHANT, Kevin, John; WALSH, Louise, Marie; KERR, Catrina, Morven; FIELDHOUSE, Charlotte; HARRISSON, David; MAINE, Stephanie; HAZEL, Katherine Patent: WO2013/27001 A1, 2013 ; Location in patent: Page/Page column 132-133 ;
  • Route2

    References

    • Kitano, Yoshikazu; Ito, Toshihiro; Suzuki, Takehiro; Nogata, Yasuyuki; Shinshima, Kyouji; Yoshimura, Erina; Chiba, Kazuhiro; Tada, Masahiro; Sakaguchi, Isamu Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 20 p. 2251 - 2255

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

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Computational Chemistry Data

  • TPSA   61.83
  • LogP   2.38602
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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