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CS-W001157 4
Total: USD 88.00

Diethyl 2-isobutyrylmalonate

  • CAS No. 21633-78-3

  • Cat. No. CS-0187761
  • Molecule weight230.26
  • Purity≥97%
  • MDL No.None

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

Diethyl 2-isobutyrylmalonate|CS-0187761

Structure of 21633-78-3

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General Information

  • CAS No. 21633-78-3
  • Cat. No. CS-0187761
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈O₅
  • Molecular Weight 230.26
  • Synonym(s) Diethyl isobutyroylmalonate
  • SMILES CCOC(=O)C(C(=O)C(C)C)C(=O)OCC

Synthesis

  • Route1
    • null|null
      19967-55-6
    • null|null
      105-53-3
    • ~71%
    • Diethyl 2-isobutyrylmalonate|CS-0187761
      21633-78-3

    References

    • Kumar, Raju Nandha; Selvi, Senniappan Thamarai; Suresh, Thangaraj; Mohan, Palathurai Subramaniam Heterocycles, 2002 , vol. 57, # 2 p. 357 - 360
  • Route2
    • null|null
      79-30-1
    • null|null
      105-53-3
    • ~%
    • Diethyl 2-isobutyrylmalonate|CS-0187761
      21633-78-3

    References

    • Rathke, Michael W.; Cowan, Patrick J. Journal of Organic Chemistry, 1985 , vol. 50, # 15 p. 2622 - 2624
  • Route3
    • null|null
      35227-78-2
    • null|null
      79-30-1
    • ~%
    • Diethyl 2-isobutyrylmalonate|CS-0187761
      21633-78-3

    References

    • Cooper; Lawston; Rickard; Inch European Journal of Medicinal Chemistry, 1978 , vol. 13, # 3 p. 207 - 212

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   0.9539
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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