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Trimethyl propane-1,2,2-tricarboxylate

  • CAS No. 39994-40-6

  • Cat. No. CS-0452130
  • Molecule weight218.20
  • Purity≥98%
  • MDL No.None

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

Trimethyl propane-1,2,2-tricarboxylate|CS-0452130

Structure of 39994-40-6

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General Information

  • CAS No. 39994-40-6
  • Cat. No. CS-0452130
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₆
  • Molecular Weight 218.20
  • Synonym(s) 2-METHOXYCARBONYL-2-METHYL-SUCCINIC ACID DIMETHYL ESTER
  • SMILES CC(CC(=O)OC)(C(=O)OC)C(=O)OC

Synthesis

  • Route1

    References

    • Tou, Jacob S.; Schleppnik, Alfred A. Journal of Organic Chemistry, 1983 , vol. 48, # 5 p. 753 - 755
  • Route2
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    • Diethyl 2-cyano-2-methylsuccinate|CS-0966205
      52808-16-9
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    • Trimethyl propane-1,2,2-tricarboxylate|CS-0452130
      39994-40-6

    References

    • Barthe Annales de Chimie (Cachan, France), 1892 , vol. <6>27, p. 269
  • Route3
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      186581-53-3
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      39994-39-3
    • ~%
    • Trimethyl propane-1,2,2-tricarboxylate|CS-0452130
      39994-40-6

    References

    • Mills,F.D. et al. Journal of Organic Chemistry, 1973 , vol. 38, # 14 p. 2512 - 2517

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   78.9
  • LogP   -0.0982
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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