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CS-W001157 4
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Diethyl 2-isopentyl-2-methylmalonate

  • CAS No. 121823-85-6

  • Cat. No. CS-0585652
  • Molecule weight244.33
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-isopentyl-2-methylmalonate|CS-0585652

Structure of 121823-85-6

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General Information

  • CAS No. 121823-85-6
  • Cat. No. CS-0585652
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₄O₄
  • Molecular Weight 244.33
  • Synonym(s) DIETHYL ISOPENTYLMETHYLMALONATE
  • SMILES CCOC(=O)C(C)(CCC(C)C)C(=O)OCC

Synthesis

  • Route1
    • null|null
      17063-07-9
    • ~98%
    • Diethyl 2-isopentyl-2-methylmalonate|CS-0585652
      121823-85-6

    References

    • Anadys Pharmaceuticals, Inc. Patent: US2009/306057 A1, 2009 ; Location in patent: Page/Page column 68 ;
  • Route2

    References

    • Ellis, David; Li, Liansheng; Tran, Chinh V.; Ruebsam, Frank; Zhou, Yuefen Patent: US2009/62263 A1, 2009 ; Location in patent: Page/Page column 22 ; US 20090062263 A1
  • Route3
    • null|null
      74-88-4
    • ~%
    • Diethyl 2-isopentyl-2-methylmalonate|CS-0585652
      121823-85-6

    References

    • Bulletin de la Societe Chimique de France, , vol. <4> 33, p. 195

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

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.5551
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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