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CS-W001157 4
Total: USD 88.00

5-Oxo-5-(o-tolyl)pentanoic acid

  • CAS No. 36978-50-4

  • Cat. No. CS-0581405
  • Purity≥98%
  • MDL No.None

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

5-Oxo-5-(o-tolyl)pentanoic acid|CS-0581405

Structure of 36978-50-4

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General Information

  • CAS No. 36978-50-4
  • Cat. No. CS-0581405
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃
  • Molecular Weight 206.24
  • Synonym(s) 5-(2-Methylphenyl)-5-oxovaleric acid
  • SMILES O=C(O)CCCC(C1=CC=CC=C1C)=O

Synthesis

  • Route1
    • null|null
      33872-80-9
    • null|null
      53715-97-2
    • ~%
    • 5-Oxo-5-(o-tolyl)pentanoic acid|CS-0581405
      36978-50-4

    References

    • Rhone-Poulenc Rorer Limited Patent: US6211234 B1, 2001 ;
  • Route2
    • null|null
      108-55-4
    • null|null
      95-46-5
    • ~%
    • 5-Oxo-5-(o-tolyl)pentanoic acid|CS-0581405
      36978-50-4

    References

    • Yang, Xiao-Hui; Xie, Jian-Hua; Liu, Wei-Peng; Zhou, Qi-Lin Angewandte Chemie - International Edition, 2013 , vol. 52, # 30 p. 7833 - 7836 Angew. Chem., 2013 , vol. 125, # 30 p. 7987 - 7990,4
  • Route3
    • 1-(O-tolyl)cyclopentan-1-ol|CS-0353358
      100256-17-5
    • ~%
    • 5-Oxo-5-(o-tolyl)pentanoic acid|CS-0581405
      36978-50-4

    References

    • Ghosal et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 584

Safety Information

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GHS Pictogram : N/A
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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   2.43262
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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