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Diethyl 2-butyl-2-methylmalonate

  • CAS No. 55114-29-9

  • Cat. No. CS-0365095
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-butyl-2-methylmalonate|CS-0365095

Structure of 55114-29-9

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General Information

  • CAS No. 55114-29-9
  • Cat. No. CS-0365095
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂O₄
  • Molecular Weight 230.30
  • Synonym(s) Diethyl butylmethylmalonate
  • SMILES O=C(OCC)C(C)(CCCC)C(OCC)=O

Synthesis

  • Route1

    References

    • Le Bourdonnec, Bertrand; Meulon, Emmanuelle; Yous, Said; Goossens, Jean-Francois; Houssin, Raymond; Henichart, Jean-Pierre Journal of Medicinal Chemistry, 2000 , vol. 43, # 14 p. 2685 - 2697
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    • Diethyl 2-butyl-2-methylmalonate|CS-0365095
      55114-29-9

    References

    • Kende,A.S.; Fludzinski,P.; Hill,J.H. Journal of the American Chemical Society, 1984 , vol. 106, p. 3551
  • Route3

    References

    • Hedenstroem, Erik; Andersson, Fredrik Journal of chemical ecology, 2002 , vol. 28, # 6 p. 1237 - 1254

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.3091
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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