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CS-W001157 4
Total: USD 88.00

tert-Butyl 3-oxohexanoate

  • CAS No. 61540-30-5

  • Cat. No. CS-0437648
  • Purity≥98%
  • MDL No.MFCD11974525

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

tert-Butyl 3-oxohexanoate|CS-0437648

Structure of 61540-30-5

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General Information

  • CAS No. 61540-30-5
  • Cat. No. CS-0437648
  • Purity ≥98%
  • MDL No. MFCD11974525
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₃
  • Molecular Weight 186.25
  • Synonym(s) Hexanoic acid, 3-oxo-, 1,1-dimethylethyl ester
  • SMILES CCCC(CC(OC(C)(C)C)=O)=O

Synthesis

  • Route1

    References

    • Aissa, Christophe; Riveiros, Ricardo; Ragot, Jacques; Fuerstner, Alois Journal of the American Chemical Society, 2003 , vol. 125, # 50 p. 15512 - 15520
  • Route2
    • null|null
      66343-95-1
    • ~84%
    • tert-Butyl 3-oxohexanoate|CS-0437648
      61540-30-5

    References

    • Shiosaki, Kazumi; Fels, Gregor; Rapoport, Henry Journal of Organic Chemistry, 1981 , vol. 46, # 16 p. 3230 - 3234
  • Route3
    • null|null
      623-42-7
    • null|null
      1207973-75-8
    • ~86%
    • tert-Butyl 3-oxohexanoate|CS-0437648
      61540-30-5

    References

    • Kramer, Rainer; Brueckner, Reinhard Angewandte Chemie - International Edition, 2007 , vol. 46, # 34 p. 6537 - 6541

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.0874
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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