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CS-W001157 4
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Ethyl 5-oxo-5-(p-tolyl)pentanoate

  • CAS No. 42482-94-0

  • Cat. No. CS-0575247
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-oxo-5-(p-tolyl)pentanoate|CS-0575247

Structure of 42482-94-0

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General Information

  • CAS No. 42482-94-0
  • Cat. No. CS-0575247
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈O₃
  • Molecular Weight 234.29
  • Synonym(s) Ethyl 5-(4-methylphenyl)-5-oxovalerate
  • SMILES CCOC(=O)CCCC(=O)C1=CC=C(C=C1)C

Synthesis

  • Route1
    • null|null
      5205-39-0
    • null|null
      4294-57-9
    • ~%
    • Ethyl 5-oxo-5-(p-tolyl)pentanoate|CS-0575247
      42482-94-0

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; EBEL, Heiner; FRATTINI, Sara; GIOVANNINI, Riccardo; HOENKE, Christoph; SCHEUERER, Stefan Patent: WO2011/151251 A1, 2011 ; Location in patent: Page/Page column 73 ; WO 2011/151251 A1
  • Route2
    • null|null
      64-17-5
    • 5-Oxo-5-(p-tolyl)pentanoic acid|CS-0672660
      833-85-2
    • ~10%
    • Ethyl 5-oxo-5-(p-tolyl)pentanoate|CS-0575247
      42482-94-0

    References

    • Stevanovic, Dragana; Pejovic, Anka; Damljanovic, Ivan S.; Vukicevic, Mirjana D.; Dobrikov, Georgi; Dimitrov, Vladimir; Denic, Marija S.; Radulovic, Niko S.; Vukicevic, Rastko D. Helvetica Chimica Acta, 2013 , vol. 96, # 6 p. 1103 - 1110
  • Route3
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~%
    • Ethyl 5-oxo-5-(p-tolyl)pentanoate|CS-0575247
      42482-94-0

    References

    • Severin,T.; Braeutigam,I. Chemische Berichte, 1979 , vol. 112, p. 3007 - 3012

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   43.37
  • LogP   2.91112
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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