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CS-W001157 4
Total: USD 88.00

Ethyl 2,2-dimethyl-3-oxobutanoate

  • CAS No. 597-04-6

  • Cat. No. CS-0134663
  • Purity≥96%
  • MDL No.MFCD06658443

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

Ethyl 2,2-dimethyl-3-oxobutanoate|CS-0134663

Structure of 597-04-6

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General Information

  • CAS No. 597-04-6
  • Cat. No. CS-0134663
  • Purity ≥96%
  • MDL No. MFCD06658443
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.19
  • Synonym(s) 2,2-Dimethylacetoacetic Acid Ethyl Ester
  • SMILES O=C(C)C(C)(C)C(OCC)=O

Synthesis

  • Route1

    References

    • Glenmark Pharmaceuticals S.A. Patent: US2008/200501 A1, 2008 ; Location in patent: Page/Page column 44 ;
  • Route2

    References

    • Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy Tetrahedron Letters, 2005 , vol. 46, # 4 p. 635 - 638
  • Route3
    • null|null
      107987-07-5
    • ~78%
    • Ethyl 2,2-dimethyl-3-oxobutanoate|CS-0134663
      597-04-6
    • Ethyl 2-methyl-4-oxopentanoate|CS-0665801
      4749-12-6

    References

    • Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 1237 - 1246

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.1647
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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