1212021-11-8 | 3-Chloro-5-cyanophenylboronic acid, pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$20.00	$14.00
1g	98%	in stock	$79.00	$56.00

Description

• Catalog Number: AE34538
• Chemical Name: 3-Chloro-5-cyanophenylboronic acid, pinacol ester
• CAS Number: 1212021-11-8
• Molecular Formula: C13H15BClNO2
• Molecular Weight: 263.5277
• MDL Number: MFCD16659095
• SMILES: N#Cc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 360
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1

Upstream Synthesis Route

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile holds significant importance in chemical synthesis as a versatile building block. This compound is commonly utilized in palladium-catalyzed cross-coupling reactions, particularly in Suzuki-Miyaura coupling reactions. The presence of the boronate ester moiety in its structure allows for efficient and selective C-C bond formation, making it a valuable tool in the construction of complex organic molecules. Additionally, the 3-chloro substituent serves as a handle for further functionalization, enabling the synthesis of a wide range of substituted benzonitrile derivatives. Overall, this compound plays a crucial role in modern organic synthesis strategies, facilitating the creation of diverse chemical entities with potential applications in pharmaceuticals, materials science, and agrochemicals.