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CS-W001157 4
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Trimethyl ethane-1,1,2-tricarboxylate

  • CAS No. 40967-67-7

  • Cat. No. CS-W023095
  • Purity≥97%
  • MDL No.None

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

Trimethyl ethane-1,1,2-tricarboxylate|CS-W023095

Structure of 40967-67-7

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General Information

  • CAS No. 40967-67-7
  • Cat. No. CS-W023095
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₆
  • Molecular Weight 204.18
  • Synonym(s) 2-Methoxycarbonylsuccinic acid dimethyl ester
  • SMILES O=C(OC)C(C(OC)=O)CC(OC)=O

Description

Trimethyl ethane-1,1,2-tricarboxylate features a highly functionalized carbon backbone with three ester groups positioned for strategic reactivity. The geminal dimethyl substitution at C1 enhances steric protection, while the adjacent carboxylate moieties enable controlled deprotonation and coupling reactions. This molecule serves as a key synthon in constructing complex carbocyclic frameworks under mild conditions.

Application

Trimethyl ethane-1,1,2-tricarboxylate serves as a versatile C3 synthon in multicomponent condensation reactions, enabling efficient construction of substituted cyclopropanes and heterocyclic scaffolds. Its three ester groups provide orthogonal reactivity for sequential functionalization, while the geminal dimethyl substitution enhances bench stability and simplifies purification. Functions effectively in Claisen-type condensations and Michael additions, offering predictable regiochemistry and high yield under standard laboratory conditions.

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   78.9
  • LogP   -0.4883
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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