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CAS 874299-21-5

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N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N′-(2,2,2-trifluoroethyl)urea

Description:
N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N′-(2,2,2-trifluoroethyl)urea, with CAS number 874299-21-5, is a synthetic organic compound characterized by its unique structural features, including a urea functional group and a boron-containing moiety. The presence of the tetramethyl-1,3,2-dioxaborolane ring contributes to its potential reactivity and stability, making it of interest in various chemical applications, particularly in medicinal chemistry and material science. The trifluoroethyl substituent enhances its lipophilicity and may influence its biological activity. This compound is likely to exhibit specific solubility characteristics, depending on the solvent system, and may participate in hydrogen bonding due to the urea functionality. Its molecular structure suggests potential applications in drug development, particularly in targeting specific biological pathways or as a building block in the synthesis of more complex molecules. As with many boron-containing compounds, it may also exhibit unique properties in catalysis or as a reagent in organic synthesis.
Formula:C15H20BF3N2O3
InChI:InChI=1S/C15H20BF3N2O3/c1-13(2)14(3,4)24-16(23-13)10-6-5-7-11(8-10)21-12(22)20-9-15(17,18)19/h5-8H,9H2,1-4H3,(H2,20,21,22)
InChI key:InChIKey=MMLLVBUYAPWNBU-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(NC(NCC(F)(F)F)=O)=CC=C2
Synonyms:
  • Urea, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N′-(2,2,2-trifluoroethyl)-
  • 1-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
  • N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N′-(2,2,2-trifluoroethyl)urea
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