1218790-13-6 | 4-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	96%	in stock	$169.00	$118.00
1g	96%	in stock	$401.00	$281.00
5g	96%	in stock	$1,535.00	$1,074.00

Description

• Catalog Number: AA54517
• Chemical Name: 4-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
• CAS Number: 1218790-13-6
• Molecular Formula: C13H14BClFNO2
• Molecular Weight: 281.5182
• MDL Number: MFCD13195765
• SMILES: N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1Cl)F

Computed Properties

• Complexity: 393
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1

Upstream Synthesis Route

2-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a versatile compound that finds wide application in chemical synthesis. This compound can be utilized as a key building block in the construction of various organic molecules through cross-coupling reactions, specifically in Suzuki-Miyaura coupling reactions.In organic synthesis, Suzuki-Miyaura coupling is a fundamental reaction that enables the formation of carbon-carbon bonds between a boron-containing compound (boronic acid or boronate ester) and an organic halide or pseudohalide. In this context, 2-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile serves as the boron-containing partner, providing an essential platform for the creation of complex molecular structures.By serving as a valuable intermediate in Suzuki-Miyaura coupling reactions, this compound facilitates the synthesis of pharmaceuticals, agrochemicals, and materials with tailored properties. Its strategic placement of functional groups enables precise control over the regioselectivity and stereochemistry of the resulting products, making it an indispensable tool for chemists engaged in organic synthesis endeavors.