1004294-77-2 | 2,2,2-Trifluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$98.00	$69.00
1g	97%	in stock	$203.00	$142.00
5g	97%	in stock	$573.00	$402.00
10g	97%	in stock	$946.00	$662.00
25g	97%	in stock	$1,879.00	$1,316.00

Description

• Catalog Number: AE12903
• Chemical Name: 2,2,2-Trifluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone
• CAS Number: 1004294-77-2
• Molecular Formula: C14H16BF3O3
• Molecular Weight: 300.0812
• MDL Number: MFCD16628195
• SMILES: O=C(C(F)(F)F)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 396
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2

Upstream Synthesis Route

2,2,2-Trifluoroacetophenone-4-boronic acid pinacol ester is a versatile compound that finds wide application in chemical synthesis. This compound is a key building block in the field of organic chemistry, particularly in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. With its unique structure and reactive boronic acid moiety, this ester can participate in various important reactions, such as Suzuki-Miyaura cross-coupling reactions, which are vital in the formation of carbon-carbon bonds. Additionally, 2,2,2-Trifluoroacetophenone-4-boronic acid pinacol ester is also used in transition metal-catalyzed transformations, enabling the preparation of complex molecular structures with high efficiency and selectivity. Its ability to introduce the trifluoromethyl group offers a valuable tool for medicinal chemists in the design of bioactive compounds with improved pharmacological properties. In summary, this compound plays a significant role in modern synthetic chemistry, facilitating the creation of diverse molecules with important applications in various industries.