1218789-89-9 | 5-(t-Butoxycarbonyl)-4-chloro-2-fluorophenylboronic acid, pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
100mg	96%	in stock	$23.00	$16.00
250mg	96%	in stock	$33.00	$23.00
1g	96%	in stock	$78.00	$54.00
25g	96%	in stock	$1,878.00	$1,315.00
100g	96%	in stock	$6,541.00	$4,579.00

Description

• Catalog Number: AA54530
• Chemical Name: 5-(t-Butoxycarbonyl)-4-chloro-2-fluorophenylboronic acid, pinacol ester
• CAS Number: 1218789-89-9
• Molecular Formula: C17H23BClFO4
• Molecular Weight: 356.6245
• MDL Number: MFCD12913981
• SMILES: O=C(c1cc(B2OC(C(O2)(C)C)(C)C)c(cc1Cl)F)OC(C)(C)C

Computed Properties

• Complexity: 476
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4

Upstream Synthesis Route

The compound 1,1-Dimethylethyl 2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is commonly utilized in chemical synthesis as a versatile building block. Its unique structure allows it to participate in a variety of reactions, making it valuable for the creation of complex organic molecules.This compound is often employed as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. Its functionality as a boronic ester enables it to undergo Suzuki-Miyaura cross-coupling reactions with aryl halides or pseudohalides, facilitating the construction of biaryl compounds. Additionally, the presence of the chloro and fluoro substituents on the benzene ring enhances the compound's reactivity and compatibility with a wide range of reaction conditions.Furthermore, the bulky tert-butyl group on the ester moiety provides steric hindrance that can influence regioselectivity and stereochemistry in subsequent transformations. Overall, the strategic incorporation of 1,1-Dimethylethyl 2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate in synthetic schemes offers chemists a powerful tool for the efficient construction of diverse molecular architectures.