1073355-21-1 | 2-Cyano-4-(trifluoromethyl)phenylboronic acid pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$22.00	$16.00

Description

• Catalog Number: AD45379
• Chemical Name: 2-Cyano-4-(trifluoromethyl)phenylboronic acid pinacol ester
• CAS Number: 1073355-21-1
• Molecular Formula: C14H15BF3NO2
• Molecular Weight: 297.0806
• MDL Number: MFCD09878539
• SMILES: N#Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F

Computed Properties

• Complexity: 439
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1

Upstream Synthesis Route

The compound 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, commonly known as $name$, is a versatile building block in chemical synthesis. This molecule is widely used in organic chemistry for its unique reactivity and ability to introduce both boron and trifluoromethyl functional groups into target molecules. In chemical synthesis, $name$ serves as a valuable reagent for Suzuki-Miyaura cross-coupling reactions. The boron atom in the dioxaborolane moiety can easily undergo transmetalation with various aryl halides or pseudohalides in the presence of a palladium catalyst, leading to the formation of biaryl compounds. The trifluoromethyl group enhances the chemical properties of the resulting molecules, making them useful in medicinal chemistry and materials science.Furthermore, the presence of both boron and trifluoromethyl groups in $name$ allows for further derivatization, enabling the synthesis of more complex molecules with improved properties. Its unique structure and reactivity make it a valuable tool for the synthesis of pharmaceuticals, agrochemicals, and functional materials with diverse applications in various industries.