1220219-59-9 | 3-Cyano-5-methylphenylboronic acid pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$36.00	$26.00
1g	97%	in stock	$110.00	$77.00
10g	97%	in stock	$1,061.00	$743.00
25g	97%	in stock	$2,314.00	$1,620.00

Description

• Catalog Number: AA55062
• Chemical Name: 3-Cyano-5-methylphenylboronic acid pinacol ester
• CAS Number: 1220219-59-9
• Molecular Formula: C14H18BNO2
• Molecular Weight: 243.1092
• MDL Number: MFCD18383798
• SMILES: N#Cc1cc(C)cc(c1)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 355
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1

Upstream Synthesis Route

The compound 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a versatile building block widely used in chemical synthesis. Its unique structure allows for efficient cross-coupling reactions with various functional groups, making it a valuable tool in the synthesis of complex organic molecules. This compound is particularly valuable in the pharmaceutical and agrochemical industries, where the ability to selectively and efficiently form new carbon-carbon bonds is crucial for the development of novel compounds with desired biological activities. Additionally, the presence of the boron atom in the molecule enables further derivatization, expanding the scope of its synthetic applications. In summary, 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a key component in the toolbox of organic chemists, facilitating the construction of diverse molecular architectures with high efficiency and selectivity.