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CS-W001157 4
Total: USD 88.00

4-(4-hydroxyphenyl)-4-oxobutanoic acid

  • CAS No. 56872-39-0

  • Cat. No. CS-W000648
  • Purity≥97%
  • MDL No.None

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

4-(4-hydroxyphenyl)-4-oxobutanoic acid|CS-W000648

Structure of 56872-39-0

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General Information

  • CAS No. 56872-39-0
  • Cat. No. CS-W000648
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) 4-(4-hydroxyphenyl)-4-oxo-butanoic acid
  • SMILES OC(=O)CCC(=O)c1ccc(cc1)O

Synthesis

  • Route1

    References

    • Hog, Signe; Wellendorph, Petrine; Nielsen, Birgitte; Frydenvang, Karla; Dahl, Ivar F.; Braeuner-Osborne, Hans; Brehm, Lotte; Frolund, Bente; Clausen, Rasmus P. Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 8088 - 8095
  • Route2
    • 4-(4-Hydroxyphenyl)-4-oxobut-2-enoic acid|CS-1720407
      24849-48-7
    • ~%
    • 4-(4-hydroxyphenyl)-4-oxobutanoic acid|CS-W000648
      56872-39-0

    References

    • METABOLEX, INC.; MA, Jingyuan; NOVACK, Aaron; NASHASHIBI, Imad; PHAM, Phuongly; RABBAT, Christopher J.; SONG, Jiangao; SHI, Dong Fang; ZHAO, Zuchun; CHOI, Yun-Jung; CHEN, Xin Patent: WO2010/48207 A2, 2010 ; Location in patent: Page/Page column 92 ; WO 2010/048207 A2
  • Route3
    • null|null
      100-66-3
    • ~%
    • 4-(4-hydroxyphenyl)-4-oxobutanoic acid|CS-W000648
      56872-39-0

    References

    • Dillard, Robert D.; Hahn, Richard A.; McCullough, Doris; Carr, F. Patrick; Rinkema, Lynn E.; et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2768 - 2778

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.4397
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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