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CS-W001157 4
Total: USD 88.00

3,3-Dimethyl-2-oxobutanoic acid

  • CAS No. 815-17-8

  • Cat. No. CS-W005305
  • Purity≥97%
  • MDL No.MFCD00154352

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

3,3-Dimethyl-2-oxobutanoic acid|CS-W005305

Structure of 815-17-8

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General Information

  • CAS No. 815-17-8
  • Cat. No. CS-W005305
  • Purity ≥97%
  • MDL No. MFCD00154352
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₃
  • Molecular Weight 130.14
  • Synonym(s) Trimethylpyruvic Acid
  • SMILES CC(C)(C(C(O)=O)=O)C

Description

3,3-Dimethyl-2-oxobutanoic acid features a sterically hindered α-ketoacid scaffold with enhanced stability under standard bench conditions. The geminal dimethyl substitution reduces enolization and minimizes decomposition pathways, enabling reliable use in condensation reactions and as a building block for heterocyclic synthesis.

Synthesis

  • Route1

    References

    • Fiege, Helmut Patent: US2004/30186 A1, 2004 ; Location in patent: Page 4 ;
  • Route2

    References

    • US2004/30186 A1, ; Page 3-4 ;
  • Route3
    • null|null
      75-97-8
    • ~84%
    • In-stock
      3,3-Dimethyl-2-oxobutanoic acid|CS-W005305
      815-17-8

    References

    • Tuck, Kellie L.; Saldanha, S. Adrian; Birch, Louise M.; Smith, Alison G.; Abell, Chris Organic and Biomolecular Chemistry, 2006 , vol. 4, # 19 p. 3598 - 3610

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   0.6862
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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