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CAS 882679-08-5

:

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzenamine

Description:
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzenamine is a chemical compound characterized by its unique structural features, which include a trifluoromethyl group and a boron-containing dioxaborolane moiety. The presence of the trifluoromethyl group typically imparts significant lipophilicity and can enhance the compound's biological activity, making it of interest in medicinal chemistry. The dioxaborolane unit is known for its stability and ability to participate in various chemical reactions, including Suzuki coupling, which is valuable in organic synthesis. This compound may exhibit properties such as moderate to high solubility in organic solvents, and its reactivity can be influenced by the electron-withdrawing nature of the trifluoromethyl group. Additionally, the amine functional group can engage in hydrogen bonding, affecting its interactions in biological systems. Overall, this compound's unique combination of functional groups suggests potential applications in pharmaceuticals, agrochemicals, and materials science.
Formula:C13H17BF3NO2
InChI:InChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)10-7-8(18)5-6-9(10)13(15,16)17/h5-7H,18H2,1-4H3
InChI key:InChIKey=LNZUBJRCRHXSIF-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C=C(N)C=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzenamine
  • Benzenamine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-
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