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CS-W001157 4
Total: USD 88.00

3-(4-Fluorophenyl)-2-oxopropanoic acid

  • CAS No. 7761-30-0

  • Cat. No. CS-0216884
  • Purity≥97%
  • MDL No.None

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

3-(4-Fluorophenyl)-2-oxopropanoic acid|CS-0216884

Structure of 7761-30-0

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General Information

  • CAS No. 7761-30-0
  • Cat. No. CS-0216884
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FO₃
  • Molecular Weight 182.15
  • Synonym(s) 2-(4-FLUOROBENZOYL)ACETIC ACID
  • SMILES O=C(O)C(CC1=CC=C(F)C=C1)=O

Synthesis

  • Route1
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~%
    • In-stock
      3-(4-Fluorophenyl)-2-oxopropanoic acid|CS-0216884
      7761-30-0

    References

    • Rozzell, J. David; Novick, Scott J. Patent: US2008/182972 A1, 2008 ; Location in patent: Page/Page column 6 ;
  • Route2
    • 4-[(4-Fluorophenyl)methylene]-2-methyl-5(4H)-oxazolone|CS-0787124
      586-08-3
    • ~70%
    • In-stock
      3-(4-Fluorophenyl)-2-oxopropanoic acid|CS-0216884
      7761-30-0

    References

    • Baud, Matthias G. J.; Leiser, Thomas; Haus, Patricia; Samlal, Sharon; Wong, Ai Ching; Wood, Robert J.; Petrucci, Vanessa; Gunaratnam, Mekala; Hughes, Siobhan M.; Buluwela, Lakjaya; Turlais, Fabrice; Neidle, Stephen; Meyer-Almes, Franz-Josef; White, Andrew J. P.; Fuchter, Matthew J. Journal of Medicinal Chemistry, 2012 , vol. 55, # 4 p. 1731 - 1750
  • Route3
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • ~%
    • In-stock
      3-(4-Fluorophenyl)-2-oxopropanoic acid|CS-0216884
      7761-30-0

    References

    • Dahbi; Hamman; Beguin Bulletin de la Societe Chimique de France, 1986 , vol. No. 6, p. 916 - 919

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   54.37
  • LogP   1.0219
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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