TCI
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Description
TCI D4051 2,2-Difluoro-1,3-benzodioxole is a fluorinated building block that carries a difluoromethylenedioxy bridge fused to a benzene ring. This distinctive group, commonly written as OCF2O, is one of the most sought-after fluorine motifs in modern medicinal chemistry and agrochemical research. In the laboratory, the compound serves as a ready-to-use aromatic scaffold: researchers do not need to perform fluorination reactions that demand aggressive reagents and special handling. Instead, they simply functionalize the aromatic ring through halogenation, directed lithiation, or coupling reactions to obtain the derivatives they want.
The key characteristics of this material come from the OCF2O group itself. The two fluorine atoms on the acetal carbon make this bridge far more stable toward hydrolysis and metabolism than an ordinary methylenedioxy group, while at the same time increasing lipophilicity and altering the electron density distribution across the aromatic ring. Its strong electron-withdrawing character influences acidity, stability, and the orientation of electrophilic substitution reactions in the resulting derivatives. For molecular designers, this group is frequently employed as a bioisostere, allowing physicochemical properties to be tuned without changing the underlying framework of the parent compound.
In Indonesian laboratories, this building block is typically used in university research groups, pharmaceutical discovery programs, and agrochemical development work where fluorinated intermediates are required. Because the fluorinated bridge is already installed, laboratories can proceed directly to ring functionalization and derivative synthesis without setting up dedicated fluorination infrastructure. This makes the material practical for research groups that need access to fluorine-containing scaffolds while working within conventional synthetic organic chemistry facilities.
Laboratory Applications
- Medicinal chemistry scaffold synthesis — the OCF2O motif is a widely pursued fluorine group in drug discovery, and this compound delivers it as a pre-formed aromatic framework ready for elaboration.
- Agrochemical intermediate preparation — the difluoromethylenedioxy bridge appears frequently in modern agrochemical design, making this building block a direct entry point for candidate compound synthesis.
- Directed lithiation and halogenation studies — the aromatic ring can be functionalized through these routes, allowing researchers to install substituents at defined positions on the benzodioxole core.
- Cross-coupling reaction substrates — after halogenation, the resulting derivatives serve as partners in coupling reactions used to build more complex fluorinated molecular architectures in research settings.
- Bioisostere replacement research — the group is used to tune lipophilicity, acidity, and metabolic stability without altering the basic skeleton of a parent compound under investigation.
Specifications
- Brand: TCI (Tokyo Chemical Industry)
- CAS number: 1583-59-1
- Chemical name: 2,2-Difluoro-1,3-benzodioxole
- Product code: D4051
- Category: Chemistry > Building Blocks > Fluorinated Building Blocks
- Pack sizes: available in standard research-scale packaging; please confirm the currently listed options when ordering
- Storage: store according to the manufacturer's instructions stated on the label and Safety Data Sheet
Handling and Storage
Store this product in a tightly closed original container, kept in a cool, dry, and well-ventilated area away from direct sunlight, heat sources, and incompatible materials, following the storage conditions specified on the manufacturer's label and Safety Data Sheet. Handle the compound in a properly functioning fume hood and wear appropriate personal protective equipment, including safety glasses, chemical-resistant gloves, and a laboratory coat. Keep containers closed when not in use to limit exposure to atmospheric moisture and vapor loss. Transfer the material using clean, dry glassware and dedicated equipment to avoid cross-contamination. Review the Safety Data Sheet before first use, and dispose of residues and contaminated materials through the laboratory's established chemical waste procedures in accordance with applicable regulations.
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