CAS 1154740-65-4

3-Chloro-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine

Description:

3-Chloro-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine is an organic compound characterized by its complex structure, which includes a benzene ring substituted with a chlorine atom, a fluorine atom, and a boron-containing moiety. The presence of the dioxaborolane group indicates that this compound may have applications in organic synthesis, particularly in cross-coupling reactions, due to the reactivity of boron in forming organoboron intermediates. The tetramethyl groups contribute to the steric bulk of the molecule, which can influence its reactivity and solubility. This compound is likely to be a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its unique functional groups suggest potential utility in medicinal chemistry or materials science, although specific applications would depend on further studies regarding its reactivity and biological activity. As with many halogenated compounds, it is essential to handle it with care due to potential toxicity and environmental concerns.

Formula: C₁₂H₁₆BClFNO₂

InChI: InChI=1S/C12H16BClFNO2/c1-11(2)12(3,4)18-13(17-11)7-5-6-8(16)10(15)9(7)14/h5-6H,16H2,1-4H3

InChI key: InChIKey=NFNKJOVOJSFUSA-UHFFFAOYSA-N

SMILES: ClC1=C(B2OC(C)(C)C(C)(C)O2)C=CC(N)=C1F

Synonyms:

• 3-Chloro-2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• 3-Chloro-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• 3-Chloro-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
• Benzenamine, 3-chloro-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 4-Amino-2-chloro-3-fluorophenylboronic Acid Pinacol Ester
• 4-Amino-2-chloro-3-fluorobenzeneboronicacidpinacolester,96%
• 3-Chloro-2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine
• Reaxys ID: 19153401
• 4-AMino-2-chloro-3-fluorobenzeneboronic acid pinacol ester, 96%