Description

Diethyl 4,4-difluoroheptanedioate (CAS No. 22515-16-8) is a high-purity fluorinated ester compound with the molecular formula C₁₁H₁₈F₂O₄. This specialty chemical is widely used in organic synthesis, pharmaceutical intermediates, and advanced material research due to its unique fluorinated structure. The compound features two ethyl ester groups and a central difluorinated heptanedioate backbone, offering excellent reactivity for nucleophilic substitution and cross-coupling reactions. With a molecular weight of 252.26 g/mol, it is supplied as a clear to pale-yellow liquid under standard conditions. Ideal for researchers in medicinal chemistry, this reagent is rigorously tested for quality (≥95% purity by GC) and is packaged under inert gas to ensure stability. Store in a cool, dry place away from strong oxidizers.

Properties

• CAS Number: 22515-16-8
• Complexity: 230
• IUPAC Name: diethyl 4,4-difluoroheptanedioate
• InChI: InChI=1S/C11H18F2O4/c1-3-16-9(14)5-7-11(12,13)8-6-10(15)17-4-2/h3-8H2,1-2H3
• InChI Key: XUOBBVMKXUPPEW-UHFFFAOYSA-N
• Exact Mass: 252.11731538
• Molecular Formula: C11H18F2O4
• Molecular Weight: 252.25
• SMILES: CCOC(=O)CCC(CCC(=O)OCC)(F)F
• Topological: 52.6
• Monoisotopic Mass: 252.11731538
• Synonyms: Diethyl 4,4-difluoroheptanedioate, 22515-16-8, DTXSID10437580, DTXCID30388404, 4,4-DIFLUOROHEPTANEDIOIC ACID DIETHYL ESTER, MFCD08146634, Diethyl 4,4-difluoropimelate, Diethyl4,4-difluoroheptanedioate, C11H18F2O4, Diethyl 4,4-difluoroheptane-1,7-dioate, 4,4-difluoro-heptanedioic acid diethyl ester, SCHEMBL1700886, BCP21368, BBL100502, SBB101100, STL554296, AKOS005063391, CS-W006354, DIETHYL-4,4-DIFLUOROHEPTANEDIOATE, DS-13787, SY074293, DB-001350, F11909, Diethyl 4,4-difluoroheptanedioate stabilized over Potassium carbonate

Application

Diethyl 4,4-difluoroheptanedioate serves as a versatile building block in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its difluorinated structure is particularly valuable for modifying bioavailability and metabolic stability in drug candidates. Researchers also utilize this compound in polymer science to introduce fluorine atoms into polyester and polyamide backbones, enhancing material properties. Additionally, it acts as a precursor for fluorinated surfactants and specialty coatings.

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