Description

Dimethyl Difluoromalonate (CAS 379-95-3) is a high-purity fluorinated ester with the molecular formula C₅H₆F₂O₄, widely used in organic synthesis and pharmaceutical research. This compound, also known by its IUPAC name dimethyl 2,2-difluoropropanedioate, features two reactive fluorine atoms and two methoxy carbonyl groups, making it a versatile building block for nucleophilic substitution reactions, fluorination processes, and the synthesis of complex heterocycles. Its clear to pale-yellow liquid form and well-defined structure (MW: 168.09 g/mol) ensure consistent performance in fine chemical applications. Packaged under inert conditions to maintain stability, this reagent is ideal for researchers requiring precise fluorinated intermediates.

Properties

• CAS Number: 379-95-3
• Complexity: 159
• IUPAC Name: dimethyl 2,2-difluoropropanedioate
• InChI: InChI=1S/C5H6F2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3
• InChI Key: NHTZDSRSPCFQCJ-UHFFFAOYSA-N
• Exact Mass: 168.02341499
• Molecular Formula: C5H6F2O4
• Molecular Weight: 168.10
• SMILES: COC(=O)C(C(=O)OC)(F)F
• Topological: 52.6
• Monoisotopic Mass: 168.02341499
• Synonyms: Dimethyl difluoromalonate, 379-95-3, Dimethyl difluoropropanedioate, dimethyl 2,2-difluoropropanedioate, PROPANEDIOIC ACID, DIFLUORO-, DIMETHYL ESTER, 1,3-dimethyl 2,2-difluoropropanedioate, MFCD00516931, Malonic acid, difluoro-, dimethyl ester, Dimethyldifluoromalonate, dimethyl 2,2-difluoromalonate, SCHEMBL2580230, DTXSID9073175, NHTZDSRSPCFQCJ-UHFFFAOYSA-N, BBL101694, STL555490, AKOS006272801, MS-20264, SY039128, CS-0121280, D82219, EN300-109111

Application

Dimethyl difluoromalonate serves as a key fluorinated synthon in pharmaceutical and agrochemical development, enabling the introduction of fluorine atoms into target molecules to enhance bioavailability and metabolic stability. It is employed in the synthesis of fluorinated analogs of malonate derivatives, which are pivotal in Suzuki coupling and other cross-coupling reactions. Additionally, this compound finds use in materials science for modifying polymer properties and in asymmetric catalysis as a chiral auxiliary precursor.

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