1218791-15-1 | 3-Cyano-2-fluorophenylboronic acid, pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$89.00	$62.00
1g	98%	in stock	$185.00	$130.00
5g	98%	in stock	$634.00	$444.00
10g	98%	in stock	$1,069.00	$748.00

Description

• Catalog Number: AE43686
• Chemical Name: 3-Cyano-2-fluorophenylboronic acid, pinacol ester
• CAS Number: 1218791-15-1
• Molecular Formula: C13H15BFNO2
• Molecular Weight: 247.0731
• MDL Number: MFCD11506358
• SMILES: N#Cc1cccc(c1F)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 360
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1

Upstream Synthesis Route

The application of 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile in chemical synthesis lies in its ability to serve as a versatile building block. This compound is commonly used in the synthesis of various organic molecules due to its unique structure and reactivity. In particular, it can be employed in cross-coupling reactions to introduce the 2-fluoro-3-benzonitrile motif into target molecules. Additionally, the boronate group in the molecule enables selective functionalization and further elaboration through various chemical transformations. Its presence facilitates the formation of carbon-carbon and carbon-heteroatom bonds, making it a valuable tool in the construction of complex molecular architectures for a range of applications in medicinal chemistry, materials science, and agrochemical synthesis.