1072945-06-2 | 4-Methyl-3-nitrophenylboronic acid pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$55.00	$38.00
1g	98%	in stock	$68.00	$47.00
5g	98%	in stock	$211.00	$148.00

Description

• Catalog Number: AE10011
• Chemical Name: 4-Methyl-3-nitrophenylboronic acid pinacol ester
• CAS Number: 1072945-06-2
• Molecular Formula: C13H18BNO4
• Molecular Weight: 263.0973
• MDL Number: MFCD09027080
• SMILES: [O-][N+](=O)c1cc(ccc1C)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 350
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1

Upstream Synthesis Route

In chemical synthesis, 4,4,5,5-Tetramethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborolane plays a crucial role as a versatile building block. Its unique structure containing boron and nitrophenyl groups makes it a valuable reagent in various transformations. This compound is commonly used as a boronic acid derivative in Suzuki-Miyaura coupling reactions to form carbon-carbon bonds. Additionally, it can be employed in palladium-catalyzed cross-coupling reactions, enabling the efficient synthesis of complex organic molecules. The presence of the dioxaborolane moiety facilitates the introduction of the 4-methyl-3-nitrophenyl group into target molecules with high regio- and stereoselectivity. Overall, 4,4,5,5-Tetramethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborolane is a valuable tool for the construction of diverse organic compounds with potential applications in medicinal chemistry, material science, and agrochemical development.