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CS-W001157 4
Total: USD 88.00

(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate

  • CAS No. 101691-65-0

  • Cat. No. CS-0045942
  • Purity≥98%
  • MDL No.MFCD09475806

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

(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate|CS-0045942

Structure of 101691-65-0

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General Information

  • CAS No. 101691-65-0
  • Cat. No. CS-0045942
  • Purity ≥98%
  • MDL No. MFCD09475806
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₄S
  • Molecular Weight 270.34
  • Synonym(s) (Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulphonate
  • SMILES O=S(C1=CC=C(C)C=C1)(OCC2CCOCC2)=O

Synthesis

  • Route1
    • In-stock
      (Tetrahydro-2H-pyran-4-yl)methanol|CS-D1227
      14774-37-9
    • null|null
      98-59-9
    • ~96%
    • In-stock
      (Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate|CS-0045942
      101691-65-0

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BARTOLOZZI, Alessandra; BERRY, Angela; RIETHER, Doris; ERMANN, Monika; JENKINS, James Edward; MUSHI, Innocent Patent: WO2011/88015 A1, 2011 ; Location in patent: Page/Page column 38-39 ; WO 2011/088015 A1
  • Route2
    • In-stock
      Tetrahydropyran-4-yl-carboxylic acid|CS-W002155
      5337-03-1
    • null|null
      98-59-9
    • ~%
    • In-stock
      (Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate|CS-0045942
      101691-65-0

    References

    • WO2003/101959 A1, ; Page 248-249 ; WO 03/101959 A1
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 115, # 18 p. 8401 - 8408

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   52.6
  • LogP   2.12692
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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