126747-14-6 | 4-Cyanophenylboronic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$12.00	$8.00
10g	98%	in stock	$15.00	$10.00
25g	98%	in stock	$33.00	$23.00
100g	98%	in stock	$120.00	$84.00

Description

• Catalog Number: AA37614
• Chemical Name: 4-Cyanophenylboronic acid
• CAS Number: 126747-14-6
• Molecular Formula: C7H6BNO2
• Molecular Weight: 146.939
• MDL Number: MFCD01318968
• SMILES: N#Cc1ccc(cc1)B(O)O

Computed Properties

• Complexity: 167
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1

Upstream Synthesis Route

4-Cyanophenylboronic acid is a versatile compound widely used in chemical synthesis as a key building block in the formation of various organic molecules. Its main application lies in its ability to participate in Suzuki-Miyaura cross-coupling reactions with aryl halides or pseudohalides to form biaryl compounds. This reaction, catalyzed by palladium, offers a powerful method for the construction of complex organic structures, making 4-Cyanophenylboronic acid an essential tool in medicinal chemistry, materials science, and agrochemical research. Additionally, this compound is often employed in the synthesis of pharmaceuticals, agrochemicals, and functional materials due to its compatibility with a wide range of functional groups and its high reactivity under mild conditions.

Literature

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  ACS nano 20120124

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  Acta crystallographica. Section E, Structure reports online 20101201

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  Journal of medicinal chemistry 20031023