4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole(CAS: 1231930-37-2)

CAS Number
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Basic Information
Molecular Formula
C17H24BFN2O2
Molecular Weight
318.2 g/mol
Physical Properties
Boiling Point
442.7±30.0°C at 760 mmHg
Chemical Identifiers
SMILES
Fc1cc(cc2c1nc(n2C(C)C)C)B1OC(C(O1)(C)C)(C)C
InChIKey
HUSPISQCNSLJSR-UHFFFAOYSA-N
Database References
MDL Number
MFCD25977327
FAQ
This compound is a solid with a crystalline form. Its molecular weight is approximately 467.5 g/mol. It shows limited solubility in water but good solubility in organic solvents like DMSO and DMF. Chemically, it is reactive towards nucleophiles, which makes it useful in various synthetic reactions. It is stable under normal laboratory conditions but should be handled with care due to its functional groups.
This compound can be synthesized via a multistep process involving the formation of a dioxaborolane group through coupling reactions with boronic acids. The synthesis involves the use of palladium catalysts and bases, with a yield of around 70-80%. The reaction conditions are optimized to ensure high selectivity and purity of the final product.
This compound is primarily used in pharmaceutical research for medicinal chemistry applications. It also finds use in the development of new materials and sensors. Its unique substituents make it particularly useful in applications requiring specific reactivity and functional group modifications.
When handling this compound, ensure the use of appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be rinsed with water. Follow the Material Safety Data Sheet (MSDS) guidelines for disposal and storage. This compound is not flammable but should be stored away from strong oxidizers and heat sources.
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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