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Diethyl 2-ethoxymalonate

  • CAS No. 37555-99-0

  • Cat. No. CS-0151552
  • Molecule weight204.22
  • Purity≥97%
  • MDL No.MFCD00087125

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

Diethyl 2-ethoxymalonate|CS-0151552

Structure of 37555-99-0

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General Information

  • CAS No. 37555-99-0
  • Cat. No. CS-0151552
  • Purity ≥97%
  • MDL No. MFCD00087125
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₅
  • Molecular Weight 204.22
  • Synonym(s) propanedioic acid, 2-ethoxy-, diethyl ester
  • SMILES CCOC(C(=O)OCC)C(=O)OCC

Synthesis

  • Route1

    References

    • DEVELOPMENT CENTER FOR BIOTECHNOLOGY; DCB-USA LLC; KUO, Mann-Yan; LEE, Ying-Shuan; CHEN, Paonien; CHEN, Li Jung; LU, Yann Yu; HUANG, Yi-Ting; HSU, Hung-Yi; TSAI, Ping-Kuei Patent: WO2011/80568 A2, 2011 ; Location in patent: Page/Page column 47-48 ; WO 2011/080568 A2
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 17, # 11 p. 1194 - 1197
  • Route3
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    • ~%
    • Diethyl 2-ethoxymalonate|CS-0151552
      37555-99-0

    References

    • Chemische Berichte, , vol. 31, p. 554

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   61.83
  • LogP   0.5177
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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