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CS-W001157 4
Total: USD 88.00

Ethyl 4,4-dimethoxy-3-oxobutanoate

  • CAS No. 6956-50-9

  • Cat. No. CS-0524578
  • Molecule weight190.19
  • Purity≥98%
  • MDL No.None

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

Ethyl 4,4-dimethoxy-3-oxobutanoate|CS-0524578

Structure of 6956-50-9

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General Information

  • CAS No. 6956-50-9
  • Cat. No. CS-0524578
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₅
  • Molecular Weight 190.19
  • Synonym(s) ethyl 4,4-dimethoxy-3-oxobutylate
  • SMILES O=C(OCC)CC(C(OC)OC)=O

Synthesis

  • Route1
    • null|null
      89-91-8
    • null|null
      141-78-6
    • ~95%
    • Ethyl 4,4-dimethoxy-3-oxobutanoate|CS-0524578
      6956-50-9

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2006/8523 A1, 2006 ; Location in patent: Page/Page column 34 ; WO 2006/008523 A1
  • Route2
    • null|null
      90837-72-2
    • null|null
      141-78-6
    • ~%
    • Ethyl 4,4-dimethoxy-3-oxobutanoate|CS-0524578
      6956-50-9

    References

    • Henze; Carroll Journal of the American Chemical Society, 1954 , vol. 76, p. 4580,4582

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

Quality Control

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Computational Chemistry Data

  • TPSA   61.83
  • LogP   0.1276
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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