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CS-W001157 4
Total: USD 88.00

4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid

  • CAS No. 55007-22-2

  • Cat. No. CS-0280299
  • Molecule weight222.24
  • Purity95+%
  • MDL No.None

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

4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid|CS-0280299

Structure of 55007-22-2

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General Information

  • CAS No. 55007-22-2
  • Cat. No. CS-0280299
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) 4-(2-METHOXY-5-METHYL-PHENYL)-4-OXO-BUTYRIC ACID
  • SMILES CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)O

Synthesis

  • Route1
    • Ethyl 4-(2-methoxy-5-methylphenyl)-4-oxobutanoate|CS-0586607
      108124-66-9
    • ~%
    • 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid|CS-0280299
      55007-22-2

    References

    • Abbott Laboratories Patent: US4618683 A1, 1986 ; US 4618683 A
  • Route2
    • null|null
      103987-17-3
    • null|null
      77-78-1
    • ~%
    • 4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid|CS-0280299
      55007-22-2

    References

    • Woodward; Singh Journal of the American Chemical Society, 1950 , vol. 72, p. 494,499 Full Text Show Details Cocker et al. Chemistry and Industry (London, United Kingdom), 1950 , p. 237
  • Route3

    References

    • Rosenmund; Schapiro Archiv der Pharmazie (Weinheim, Germany), 1934 , vol. 272, p. 313,319 Full Text Show Details Desai; Wali Proceedings - Indian Academy of Sciences, Section A, 1937 , vol. <A> 6, p. 135,142

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

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   2.05112
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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