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CS-W001157 4
Total: USD 88.00

4-(Hydroxymethyl)phenyl pivalate

  • CAS No. 59012-91-8

  • Cat. No. CS-0186892
  • Purity≥95%
  • MDL No.MFCD11616923

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

4-(Hydroxymethyl)phenyl pivalate|CS-0186892

Structure of 59012-91-8

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General Information

  • CAS No. 59012-91-8
  • Cat. No. CS-0186892
  • Purity ≥95%
  • MDL No. MFCD11616923
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₃
  • Molecular Weight 208.25
  • Synonym(s) None
  • SMILES CC(C)(C)C(=O)OC1=CC=C(C=C1)CO

Synthesis

  • Route1
    • 4-Hydroxybenzyl alcohol Bisoprolol Alcohol Impurity|CS-0229718
      623-05-2
    • null|null
      3282-30-2
    • ~82%
    • 4-(Hydroxymethyl)phenyl pivalate|CS-0186892
      59012-91-8

    References

    • Andrus, Merritt B.; Hicken, Erik J.; Stephens, Jeffrey C.; Bedke, D. Karl Journal of Organic Chemistry, 2006 , vol. 71, # 22 p. 8651 - 8654
  • Route2
    • null|null
      95592-67-9
    • ~%
    • 4-(Hydroxymethyl)phenyl pivalate|CS-0186892
      59012-91-8

    References

    • Hulsman, Niels; Medema, Jan Paul; Bos, Carina; Jongejan, Aldo; Leurs, Rob; Smit, Martine J.; De Esch, Iwan J. P.; Richel, Dick; Wijtmans, Maikel Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2424 - 2431
  • Route3
    • null|null
      3282-30-2
    • ~%
    • 4-(Hydroxymethyl)phenyl pivalate|CS-0186892
      59012-91-8

    References

    • Hulsman, Niels; Medema, Jan Paul; Bos, Carina; Jongejan, Aldo; Leurs, Rob; Smit, Martine J.; De Esch, Iwan J. P.; Richel, Dick; Wijtmans, Maikel Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2424 - 2431

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.1304
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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