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CS-W001157 4
Total: USD 88.00

4,4-Dimethyl-3-oxopentanoic acid

  • CAS No. 72531-41-0

  • Cat. No. CS-0373252
  • Purity≥98%
  • MDL No.None

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

4,4-Dimethyl-3-oxopentanoic acid|CS-0373252

Structure of 72531-41-0

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General Information

  • CAS No. 72531-41-0
  • Cat. No. CS-0373252
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₃
  • Molecular Weight 144.17
  • Synonym(s) Pentanoic acid,4,4-dimethyl-3-oxo
  • SMILES CC(C)(C)C(CC(O)=O)=O

Synthesis

  • Route1
    • null|null
      77320-47-9
    • ~38%
    • null|null
      75-97-8
    • 4,4-Dimethyl-3-oxopentanoic acid|CS-0373252
      72531-41-0

    References

    • Sakai, Takashi; Katayama, Tsuyoshi; Takeda, Akira Journal of Organic Chemistry, 1981 , vol. 46, # 14 p. 2924 - 2931
  • Route2
    • null|null
      86010-74-4
    • ~%
    • 4,4-Dimethyl-3-oxopentanoic acid|CS-0373252
      72531-41-0

    References

    • Cowan, Patrick J.; Rathke, Michael W. Synthetic Communications, 1983 , vol. 13, # 3 p. 183 - 190
  • Route3
    • null|null
      3282-30-2
    • ~%
    • 4,4-Dimethyl-3-oxopentanoic acid|CS-0373252
      72531-41-0

    References

    • Cowan, Patrick J.; Rathke, Michael W. Synthetic Communications, 1983 , vol. 13, # 3 p. 183 - 190

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

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.0763
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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