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CS-W001157 4
Total: USD 88.00

3,3-Dimethylfuran-2,4(3H,5H)-dione

  • CAS No. 5436-15-7

  • Cat. No. CS-0465802
  • Molecule weight128.13
  • Purity≥98%
  • MDL No.None

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

3,3-Dimethylfuran-2,4(3H,5H)-dione|CS-0465802

Structure of 5436-15-7

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General Information

  • CAS No. 5436-15-7
  • Cat. No. CS-0465802
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₃
  • Molecular Weight 128.13
  • Synonym(s) 4-hydroxy-2,2-dimethyl-acetoacetic acid-lactone
  • SMILES CC1(C)C(=O)COC1=O

Synthesis

  • Route1
    • null|null
      91058-24-1
    • ~%
    • 3,3-Dimethylfuran-2,4(3H,5H)-dione|CS-0465802
      5436-15-7

    References

    • Cannon; Jones Journal of Organic Chemistry, 1958 , vol. 23, p. 126
  • Route2
    • null|null
      857619-75-1
    • ~%
    • 3,3-Dimethylfuran-2,4(3H,5H)-dione|CS-0465802
      5436-15-7

    References

    • Koelsch Journal of the American Chemical Society, 1944 , vol. 66, p. 306
  • Route3
    • null|null
      110680-36-9
    • ~%
    • 3,3-Dimethylfuran-2,4(3H,5H)-dione|CS-0465802
      5436-15-7

    References

    • Miller, R. D.; Theis, W. Tetrahedron Letters, 1987 , vol. 28, # 10 p. 1039 - 1042

Safety Information

Download SDS
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   43.37
  • LogP   0.1385
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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