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CS-W001157 4
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Diethyl 2,2-difluoromalonate

  • CAS No. 680-65-9

  • Cat. No. CS-0043634
  • Purity≥95%
  • MDL No.MFCD00221617

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

Diethyl 2,2-difluoromalonate|CS-0043634

Structure of 680-65-9

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General Information

  • CAS No. 680-65-9
  • Cat. No. CS-0043634
  • Purity ≥95%
  • MDL No. MFCD00221617
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀F₂O₄
  • Molecular Weight 196.15
  • Synonym(s) diethyl difluoropropanedioate
  • SMILES O=C(OCC)C(F)(F)C(OCC)=O

Description

Diethyl 2,2-difluoromalonate features a highly electron-deficient malonate core stabilized by two fluorine atoms at the central carbon. This bench-stable reagent enables direct fluorination in synthetic sequences, integrating readily into nucleophilic substitution and Michael addition cascades. Its moisture-tolerant profile simplifies handling under standard conditions.

Application

Diethyl 2,2-difluoromalonate serves as a versatile synthon in synthetic organic chemistry, enabling the introduction of geminal difluoride motifs into complex molecules. Its malonate core facilitates nucleophilic substitution and condensation reactions, while the electron-withdrawing difluoromethylene group enhances α-proton acidity and stabilizes enol intermediates. The compound exhibits good bench stability and compatibility with standard functional groups, making it ideal for constructing fluorinated building blocks in medicinal chemistry and agrochemical research.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H225-H301-H315-H319-H335
Precautionary Statements : P210-P240-P241-P280-P370+P378

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.7479
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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