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CS-W001157 4
Total: USD 88.00

1-(2,4-Dihydroxyphenyl)butan-1-one

  • CAS No. 4390-92-5

  • Cat. No. CS-0152469
  • Molecule weight180.20
  • Purity≥95%
  • MDL No.MFCD01098941

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

1-(2,4-Dihydroxyphenyl)butan-1-one|CS-0152469

Structure of 4390-92-5

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General Information

  • CAS No. 4390-92-5
  • Cat. No. CS-0152469
  • Purity ≥95%
  • MDL No. MFCD01098941
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) 2',4'-dihydroxybutyrophenone
  • SMILES CCCC(=O)C1=C(C=C(C=C1)O)O

Description

It is used in the production of pharma ingredients. It is a reagent in the synthesis of S-Methyl-N,N-diethylthiocarbamate Sulfoxide, which is an oxygenated metabolite of Disulfiram (Antabuse) that is capable of in vitro inactivation of liver mitochondrial aldehyde dehydrogenase.

Synthesis

  • Route1
    • null|null
      107-92-6
    • null|null
      108-46-3
    • ~%
    • 1-(2,4-Dihydroxyphenyl)butan-1-one|CS-0152469
      4390-92-5

    References

    • Nakazawa Yakugaku Zasshi, 1954 , vol. 74, p. 836 Chem.Abstr., 1955 , p. 9556 Full Text Show Details Oelschlaeger Archiv der Pharmazie (Weinheim, Germany), 1955 , vol. 288, p. 102,107,108
  • Route2
    • null|null
      141-75-3
    • null|null
      108-46-3
    • ~69%
    • 1-(2,4-Dihydroxyphenyl)butan-1-one|CS-0152469
      4390-92-5

    References

    • Mizobuchi, Shigeyuki; Sato, Yuko Agricultural and Biological Chemistry, 1985 , vol. 49, # 5 p. 1327 - 1334
  • Route3
    • null|null
      106-31-0
    • null|null
      108-46-3
    • ~%
    • 1-(2,4-Dihydroxyphenyl)butan-1-one|CS-0152469
      4390-92-5

    References

    • Astill et al. Biochemical Journal, 1959 , vol. 72, p. 451,457

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   2.0806
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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