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CS-W001157 4
Total: USD 88.00

4-Oxo-4-(o-tolyl)butanoic acid

  • CAS No. 6939-36-2

  • Cat. No. CS-0360492
  • Purity≥98%
  • MDL No.None

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

4-Oxo-4-(o-tolyl)butanoic acid|CS-0360492

Structure of 6939-36-2

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General Information

  • CAS No. 6939-36-2
  • Cat. No. CS-0360492
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) 4-(2-Methylphenyl)-4-oxobutanoic acid
  • SMILES CC1=CC=CC=C1C(=O)CCC(=O)O

Synthesis

  • Route1
    • null|null
      118540-57-1
    • ~75%
    • 4-Oxo-4-(o-tolyl)butanoic acid|CS-0360492
      6939-36-2

    References

    • Kameo; Ogawa; Takeshita; Nakaike; Tomisawa; Sota Chemical and Pharmaceutical Bulletin, 1988 , vol. 36, # 6 p. 2050 - 2060
  • Route2

    References

    • Daval, Sandrine B.; Valant, Celine; Bonnet, Dominique; Kellenberger, Esther; Hibert, Marcel; Galzi, Jean-Luc; Ilien, Brigitte Journal of Medicinal Chemistry, 2012 , vol. 55, # 5 p. 2125 - 2143
  • Route3

    References

    • Astles, Peter C.; Brealey, Clive; Brown, Thomas J.; Facchini, Vincenzo; Handscombe, Caroline; Harris, Neil V.; McCarthy, Clive; McLay, Iain M.; Porter, Barry; Roach, Alan G.; Sargent, Carol; Smith, Christopher; Walsh, Roger J. A. Journal of Medicinal Chemistry, 1998 , vol. 41, # 15 p. 2732 - 2744

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.04252
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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