Methyl 3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)propanoate → HCID 90404419, compound

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Reaction Steps

The title compound was prepared as described in Example 10 using 3-bromo-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole (C1), methyl 3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate (C13a), and [1,1′-bis(di-tert-butylphosphino)ferrocene]dichloropalladium(II) at 80° C. and isolated as a dark orange solid (9.86 g, 91%): 1H NMR (400 MHz, DMSO-d6) δ 9.40 (s, 1H), 8.12-8.03 (m, 2H), 8.01-7.91 (m, 2H), 7.66-7.58 (m, 2H), 7.49-7.40 (m, 1H), 7.34 (dt, J=7.8, 1.6 Hz, 1H), 3.59 (s, 3H), 2.95 (t, J=7.5 Hz, 2H), 2.70 (t, J=7.6 Hz, 2H); 19F NMR (376 MHz, DMSO-d6) δ −57.01; ESIMS m/z 392 ([M+H]+).

Provenance & Evidence