Cas no 407-35-2 (ethyl 3,3-difluoroprop-2-enoate)

Ethyl 3,3-difluoroprop-2-enoate is a fluorinated acrylate ester characterized by its reactive α,β-unsaturated carbonyl structure. The presence of two fluorine atoms at the β-position enhances its electrophilic reactivity, making it a valuable intermediate in organic synthesis, particularly for Michael additions and cycloaddition reactions. Its ester functionality provides versatility in further derivatization, while the fluorine substituents contribute to improved stability and selectivity in fluorinated compound synthesis. This compound is commonly employed in pharmaceuticals, agrochemicals, and materials science, where the introduction of fluorine atoms can modulate physicochemical properties. Its liquid state at room temperature facilitates handling in laboratory and industrial applications.
ethyl 3,3-difluoroprop-2-enoate structure
407-35-2 structure
Product Name:ethyl 3,3-difluoroprop-2-enoate
CAS No:407-35-2
MF:C5H6F2O2
MW:136.096748828888
CID:2156756
PubChem ID:13722798
Update Time:2025-10-12

ethyl 3,3-difluoroprop-2-enoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 3,3-difluoroacrylate
    • EN300-77629
    • OVWPYWYSMMACBA-UHFFFAOYSA-N
    • AAA40735
    • SCHEMBL20521180
    • 3,3-difluoro-acrylic acid ethyl ester
    • GS-2521
    • AKOS026669571
    • 407-35-2
    • DB-230387
    • ethyl 3,3-difluoroprop-2-enoate
    • 972-270-6
    • ethyl3,3-difluoroprop-2-enoate
    • Inchi: 1S/C5H6F2O2/c1-2-9-5(8)3-4(6)7/h3H,2H2,1H3
    • InChI Key: OVWPYWYSMMACBA-UHFFFAOYSA-N
    • SMILES: F/C(=C/C(=O)OCC)/F

Computed Properties

  • Exact Mass: 136.03358575Da
  • Monoisotopic Mass: 136.03358575Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 127
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 26.3?2

ethyl 3,3-difluoroprop-2-enoate Pricemore >>

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Additional information on ethyl 3,3-difluoroprop-2-enoate

Comprehensive Guide to Ethyl 3,3-Difluoroprop-2-enoate (CAS No. 407-35-2): Properties, Applications, and Industry Insights

Ethyl 3,3-difluoroprop-2-enoate (CAS No. 407-35-2) is a fluorinated ester compound gaining significant attention in pharmaceutical and agrochemical research due to its unique reactive properties. As a difluorinated acrylate derivative, it serves as a versatile building block in organic synthesis, particularly in the development of bioactive molecules. The compound's molecular structure, featuring an ethyl ester group conjugated with a difluorinated alkene, enables diverse chemical transformations, making it valuable for Michael additions, cycloadditions, and other key reactions.

Recent trends show growing interest in fluorine-containing compounds like ethyl 3,3-difluoroprop-2-enoate, driven by the "fluorine boom" in medicinal chemistry. Researchers frequently search for "fluorinated building blocks for drug discovery" and "CAS 407-35-2 applications," reflecting its importance in developing protease inhibitors and kinase modulators. The compound's electron-withdrawing difluoro group enhances reactivity while improving metabolic stability in target molecules—a critical factor addressed in queries like "how to improve drug half-life with fluorination."

In material science, 407-35-2 contributes to advanced polymer formulations. Its incorporation into fluoropolymer precursors enhances thermal stability and chemical resistance, answering industry demands captured in searches for "high-performance fluorinated monomers." The compound's α,β-unsaturated ester moiety allows for controlled polymerization, making it relevant for specialty coatings and electronic materials—topics trending under "smart materials chemistry 2024."

Synthetic methodologies for ethyl 3,3-difluoroprop-2-enoate continue to evolve, with recent publications focusing on catalytic fluorination techniques and green chemistry approaches. Laboratory professionals often inquire about "synthesis optimization for CAS 407-35-2" and "scaling difluorinated ester production," highlighting needs for efficient, sustainable routes. The compound's storage stability and handling considerations also generate substantial technical discussions, particularly regarding its reactivity profile under various conditions.

Analytical characterization of 3,3-difluoroprop-2-enoate derivatives presents unique challenges that interest researchers. Frequent searches include "NMR analysis of fluorinated esters" and "mass spectrometry fragmentation patterns for 407-35-2," underscoring the need for specialized spectral interpretation techniques. The compound's distinct 19F NMR signature and characteristic IR absorptions serve as valuable teaching examples in spectroscopy courses addressing "fluorine in analytical chemistry."

Regulatory aspects surrounding fluorochemicals like ethyl 3,3-difluoroprop-2-enoate remain a hot topic, with queries such as "REACH compliance for fluorinated esters" reflecting industry concerns. While not classified as hazardous under current standards, proper laboratory safety protocols for handling reactive esters remain essential—a subject covered in "best practices for fluorinated compound storage" discussions. The compound's environmental fate also attracts attention from researchers studying sustainable fluorine chemistry.

Market intelligence indicates rising demand for CAS 407-35-2, particularly from contract research organizations specializing in fluorine-based drug candidates. Procurement specialists frequently search for "reliable ethyl 3,3-difluoroprop-2-enoate suppliers" and "bulk pricing trends for fluorinated synthons," reflecting its commercial importance. The compound's cost-performance ratio compared to alternative fluorinated acrylates makes it a preferred choice for many applications.

Future research directions for ethyl 3,3-difluoroprop-2-enoate may explore its potential in click chemistry applications and bioconjugation techniques, addressing emerging needs in "next-generation bioprobes" development. Its role in PET radiotracer synthesis also presents exciting possibilities, connecting to trending searches about "fluorine-18 labeling precursors." These advanced applications demonstrate how this versatile fluorinated building block continues to enable innovation across scientific disciplines.

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