796967-48-1 | 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	2 weeks	$180.00	$126.00
250mg	95%	2 weeks	$427.00	$299.00
1g	95%	2 weeks	$1,498.00	$1,049.00

Description

• Catalog Number: AH57456
• Chemical Name: 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
• CAS Number: 796967-48-1
• Molecular Formula: C20H22BF3N2O3
• Molecular Weight: 406.2065
• MDL Number: MFCD15530091
• SMILES: O=C(Nc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 576
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 29
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3

Upstream Synthesis Route

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea is a highly versatile compound widely utilized in chemical synthesis, particularly in the field of organic chemistry. This compound serves as a valuable building block in the development of various pharmaceuticals, agrochemicals, and advanced materials due to its unique structural properties and reactivity.One of the key applications of 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea in chemical synthesis is as a key reagent for Suzuki-Miyaura cross-coupling reactions. This reaction is a powerful tool in organic synthesis for forming carbon-carbon bonds, enabling the construction of complex molecular structures efficiently. The presence of the boronic ester moiety in the molecule facilitates the cross-coupling reaction with aryl halides or pseudohalides, leading to the formation of biaryl compounds with high regioselectivity and yield.Additionally, 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea can also be employed in the preparation of functionalized urea derivatives through various synthetic routes. These urea derivatives have diverse biological activities and are essential intermediates in the synthesis of pharmaceutical compounds, such as kinase inhibitors and enzyme modulators.In summary, the strategic incorporation of 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea in chemical synthesis offers a valuable tool for elaborating molecular complexity, enabling the efficient assembly of structurally diverse and biologically active compounds.