2246772-09-6 | Benzonitrile, 2-​[[3-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​phenoxy]​methyl]​-

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	2 weeks	$200.00	$140.00
250mg	95%	2 weeks	$271.00	$190.00
1g	95%	2 weeks	$542.00	$380.00
5g	95%	2 weeks	$1,411.00	$988.00
10g	95%	2 weeks	$2,389.00	$1,672.00

Description

• Catalog Number: AX55871
• Chemical Name: Benzonitrile, 2-​[[3-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​phenoxy]​methyl]​-
• CAS Number: 2246772-09-6
• Molecular Formula: C20H22BNO3
• Molecular Weight: 335.2046
• MDL Number: MFCD31916442
• SMILES: N#Cc1ccccc1COc1cccc(c1)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 496
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4

Upstream Synthesis Route

The chemical Benzonitrile, 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]- plays a crucial role in chemical synthesis as a versatile building block. It is commonly utilized in the production of various organic compounds through reactions such as nucleophilic substitution, palladium-catalyzed cross-coupling, and Suzuki-Miyaura coupling. This compound's unique structure allows for the introduction of functional groups into complex molecules, making it an indispensable tool in the synthesis of pharmaceuticals, agrochemicals, and materials with tailored properties.