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CAS 819058-35-0

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N-(2-Fluoro-5-methylphenyl)-N′-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

Description:
N-(2-Fluoro-5-methylphenyl)-N′-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, identified by CAS number 819058-35-0, is a synthetic organic compound characterized by its urea functional group and the presence of fluorine and boron-containing moieties. This compound features a complex structure that includes two fluoro-substituted phenyl groups and a boron-containing dioxaborolane, which is known for its utility in various chemical reactions, particularly in the context of organoboron chemistry. The presence of fluorine atoms typically enhances the compound's lipophilicity and metabolic stability, making it of interest in pharmaceutical applications. Additionally, the tetramethyl dioxaborolane group may facilitate reactions such as Suzuki coupling, which is valuable in the synthesis of complex organic molecules. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry and materials science, particularly in the development of novel therapeutic agents or functional materials.
Formula:C20H23BF2N2O3
InChI:InChI=1S/C20H23BF2N2O3/c1-12-6-8-14(22)17(10-12)25-18(26)24-16-9-7-13(11-15(16)23)21-27-19(2,3)20(4,5)28-21/h6-11H,1-5H3,(H2,24,25,26)
InChI key:InChIKey=YTGJWQPSONRRBS-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(F)=C(NC(NC3=C(F)C=CC(C)=C3)=O)C=C2
Synonyms:
  • N-(2-Fluoro-5-methylphenyl)-N′-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
  • Urea, N-(2-fluoro-5-methylphenyl)-N′-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
  • 1-(2-fluoro-5-methylphenyl)-3-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
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