2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile(CAS: 1003298-73-4)

CAS Number
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Other Suppliers for 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Basic Information
Molecular Formula
C13H14BF2NO2
Molecular Weight
265.06 g/mol
Chemical Identifiers
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)C#N)F
InChIKey
XYMVJTWEERDWFY-UHFFFAOYSA-N
Database References
MDL Number
MFCD22419275
FAQ
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a white solid, crystalline compound with a molecular weight of approximately 321.08 g/mol. Its solubility is limited in water but is more soluble in organic solvents like DMSO. It is less reactive compared to other boron-containing compounds but shows good reactivity in cross-coupling reactions. It has a melting point of around 118-120°C.
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is synthesized via a coupling reaction of the corresponding haloarene with an aryl boronic acid in the presence of a palladium catalyst and a base. Commonly used catalysts include Pd(PPh3)4 and PdCl2(dppf), with an overall yield of around 75-85%. The reaction typically involves B2pin2 as the boronic acid source.
This compound is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and as an intermediate in medicinal chemistry. It also finds applications in the synthesis of certain polymers and as a building block in the development of new materials. Additionally, it is used in the electronics industry for the production of semiconductors and sensors.
When handling 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or in a fume hood. In case of a spill, it should be carefully cleaned up with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information and guidelines on handling and disposal.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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