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CS-W001157 4
Total: USD 88.00

2-(3-Oxo-2,3-dihydro-1h-inden-1-yl)acetic acid

  • CAS No. 25173-12-0

  • Cat. No. CS-0214813
  • Purity≥97%
  • MDL No.None

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

2-(3-Oxo-2,3-dihydro-1h-inden-1-yl)acetic acid|CS-0214813

Structure of 25173-12-0

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General Information

  • CAS No. 25173-12-0
  • Cat. No. CS-0214813
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₃
  • Molecular Weight 190.20
  • Synonym(s) 5-(Trichloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
  • SMILES C1=CC=C2C(=C1)C(CC2=O)CC(=O)O

Synthesis

  • Route1
    • 3-Phenylglutaric acid|CS-W015226
      4165-96-2
    • ~88%
    • 2-(3-Oxo-2,3-dihydro-1h-inden-1-yl)acetic acid|CS-0214813
      25173-12-0

    References

    • Prescient NeuroPharma Inc. Patent: US6699909 B1, 2004 ; Location in patent: Page/Page column 28 ;
  • Route2
    • null|null
      216586-10-6
    • ~%
    • 2-(3-Oxo-2,3-dihydro-1h-inden-1-yl)acetic acid|CS-0214813
      25173-12-0

    References

    • v. Braun; Weissbach Chemische Berichte, 1931 , vol. 64, p. 1785,1788 Full Text Show Details Manske Journal of the American Chemical Society, 1931 , vol. 53, p. 1104,1108 Full Text Show Details Hey; Kohn Journal of the Chemical Society, 1949 , p. 3177,3179
  • Route3
    • Diethyl 2,4-diacetyl-3-phenylpentanedioate|CS-0729161
      13277-74-2
    • ~%
    • 2-(3-Oxo-2,3-dihydro-1h-inden-1-yl)acetic acid|CS-0214813
      25173-12-0

    References

    • Pramanik; Mukherjee Journal of the Indian Chemical Society, 1997 , vol. 74, # 9 p. 734 - 735

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

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.8313
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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