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CS-W001157 4
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Methyl 4-(4-hydroxyphenyl)butanoate

  • CAS No. 22320-10-1

  • Cat. No. CS-0517900
  • Molecule weight194.23
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(4-hydroxyphenyl)butanoate|CS-0517900

Structure of 22320-10-1

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General Information

  • CAS No. 22320-10-1
  • Cat. No. CS-0517900
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₃
  • Molecular Weight 194.23
  • Synonym(s) 4-(4-Hydroxyphenyl)butanoic acid methyl ester
  • SMILES O=C(OC)CCCC1=CC=C(O)C=C1

Synthesis

  • Route1

    References

    • American Cyanamid Company Patent: US6340691 B1, 2002 ; Location in patent: Page column 39 ; US 6340691 B1
  • Route2

    References

    • Hazeldine, Stuart T.; Polin, Lisa; Kushner, Juiwanna; White, Kathryn; Corbett, Thomas H.; Horwitz, Jerome P. Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 12 p. 3910 - 3920
  • Route3

    References

    • Xu, Yanping; Mayhugh, Daniel; Saeed, Ashraf; Wang, Xiaodong; Thompson, Richard C.; Dominianni, Samuel J.; Kauffman, Raymond F.; Singh, Jaipal; Bean, James S.; Bensch, William R.; Barr, Robert J.; Osborne, John; Montrose-Rafizadeh, Chahrzad; Zink, Richard W.; Yumibe, Nathan P.; Huang, Naijia; Luffer-Atlas, Debra; Rungta, Deepa; Maise, Dale E.; Mantlo, Nathan B. Journal of Medicinal Chemistry, 2003 , vol. 46, # 24 p. 5121 - 5124

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.8879
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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