Description

Diethyl 2,2-Difluoromalonate (CAS: 680-65-9) is a highly versatile fluorinated malonate ester widely used in organic synthesis and pharmaceutical research. With the molecular formula C₇H₁₀F₂O₄, this compound serves as a critical building block for the introduction of difluoromethylene groups into complex molecules. Its exceptional reactivity makes it ideal for nucleophilic substitution, condensation, and cyclization reactions, enabling the synthesis of fluorinated heterocycles, agrochemicals, and bioactive compounds. Packaged under strict quality control, our Diethyl 2,2-Difluoromalonate boasts ≥98% purity (GC) and is supplied in sealed amber glass bottles to ensure stability. Suitable for high-throughput screening (HTS) and combinatorial chemistry, this reagent is a must-have for researchers exploring fluorinated scaffolds in drug discovery and material science.

Properties

• CAS Number: 680-65-9
• Complexity: 183
• IUPAC Name: diethyl 2,2-difluoropropanedioate
• InChI: InChI=1S/C7H10F2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
• InChI Key: WCRVWLHTROHXBB-UHFFFAOYSA-N
• Exact Mass: 196.05471512
• Molecular Formula: C7H10F2O4
• Molecular Weight: 196.15
• SMILES: CCOC(=O)C(C(=O)OCC)(F)F
• Topological: 52.6
• Monoisotopic Mass: 196.05471512
• Synonyms: Diethyl 2,2-difluoromalonate, 680-65-9, 6JC4XD98WS, NSC 92219, NSC-92219, DTXSID90218192, DTXCID10140683, diethyl difluoromalonate, diethyl 2,2-difluoropropanedioate, MFCD00221617, 1,3-diethyl 2,2-difluoropropanedioate, Difluoromalonic acid diethyl ester, NSC92219, 2,2-Difluoro-malonic acid diethyl ester, Propanedioic acid, difluoro-, diethyl ester, C7H10F2O4, diethyldifluoromalonate, UNII-6JC4XD98WS, diethyl difluoropropanedioate, NCIOpen2_001498, SCHEMBL1979744, Diethyl 2,2-difluoromalonate #, Difluoromalonic acid,diethyl ester, ALBB-031672, BBL104146, FD2014, SBB091963, STL557961, AKOS005063388, PB29047, diethyl 2,2-difluoropropane-1,3-dioate, AS-48911, SY009606, DB-001348, CS-0043634, EN300-92173

Diethyl 2,2-Difluoromalonate is extensively employed as a fluorinated synthon in medicinal chemistry to enhance metabolic stability and bioavailability of lead compounds. It facilitates the synthesis of difluorinated analogs of natural products and pharmaceuticals, particularly in kinase inhibitor development. The compound also finds utility in materials science for creating fluorinated polymers with tailored dielectric properties. Its compatibility with Grignard reagents and palladium-catalyzed cross-coupling reactions broadens its applicability in fine chemical manufacturing.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.