1218790-40-9 | 3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid, pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$31.00	$22.00
250mg	97%	in stock	$54.00	$38.00
1g	97%	in stock	$94.00	$66.00
5g	97%	in stock	$438.00	$306.00

Description

• Catalog Number: AA54543
• Chemical Name: 3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid, pinacol ester
• CAS Number: 1218790-40-9
• Molecular Formula: C10H14BF3N2O2
• Molecular Weight: 262.0366
• MDL Number: MFCD11501039
• SMILES: FC(c1n[nH]cc1B1OC(C(O1)(C)C)(C)C)(F)F

Computed Properties

• Complexity: 320
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1

Upstream Synthesis Route

The compound 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole is a versatile reagent commonly employed in chemical synthesis. It serves as a valuable building block for the construction of various organic molecules due to its unique structural features and reactivity.One of the key applications of this compound in chemical synthesis is its use in cross-coupling reactions. Specifically, the boron atom in the dioxaborolane moiety can easily undergo palladium-catalyzed cross-coupling reactions with a variety of aryl or vinyl halides. This enables the formation of complex organic compounds with high efficiency and selectivity.Additionally, the trifluoromethyl group on the pyrazole ring enhances the electron-withdrawing properties of the molecule, making it particularly useful in the synthesis of pharmaceuticals, agrochemicals, and materials with desired electronic properties. The presence of the trifluoromethyl group can also impart valuable properties such as improved metabolic stability or enhanced bioactivity to the final products.Overall, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole plays a crucial role in modern synthetic chemistry by enabling efficient and selective construction of complex organic molecules for various applications.