Simple exploration of 4-(Trifluoromethoxy)benzene-1,2-diamine

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 658-89-9, name is 4-(Trifluoromethoxy)benzene-1,2-diamine, A new synthetic method of this compound is introduced below., Formula: C7H7F3N2O

[0373] Compounds 41 and 100: To a mixture of Comp-41a and Comp-lOOa mixture (0.3 g, 1.31 mmol) and Comp-3b (0.29 g, 1.31 mmol) was added i-BuOk (1 mL, 1M in THF) and the reaction mixture was heated at 50 C for 16 h. Progress of the reaction was monitored by TLC and LCMS. After completion, the reaction mixture was diluted with w?ater and extracted with EtOAc (50 mL X 2). The organic layer was washed with water, brine, separated, dried over anhydrous Na2SO4 and concentrated under reduced pressure. The crude obtained was purified by prep HPLC purification to afford a mixture of regioisomers (E)-2-(2-(2,5- dimethyl-l-(l-methylpiperidin-4-yl)-lH-pyrrol-3-yl)vinyl)-7-(trifluoromethoxy)quinoxaline and (E)-2-(2-(2,5-dimethyl-l-(l-methylpiperidin-4-yl)-1H-pyrrol-3-yl)vinyl)-6- (0655) (trifluoromethoxy)quinoxaline (41 and 100, respectively; 0.09 g, 17%) as a yellow solid. (0656) [0374] HPLC purity : 98.19% (0657) [0375] MS (ESI) m/e [M+H]+/Rt/%: 431.20/1.69/97.8% (0658) [0376] 1H NMR (400 MHz, DMSO-d6, 2: l mixture of isomers) delta 1.73 (d, J=l 1.25 Hz, 2H), 2.01 – 2.11 (m, 2H), 2.14-2.17 (m, 2H), 2.23 (s, 3H), 2.29 (s, 3H), 2.44 (s, 3H), 2.91 (d, J=10.27 Hz, 2H), 3.92 – 4.02 (m, 1H), 6.24 (s, 1H), 6.85 (d, J=15.65 Hz, 1H), 7.62 – 7.78 (m, 1H), 7.85 (s, 1H), 7.91 – 7.98 (m, 1H), 8.04 – 8.13 (m, 1H), 9.24 & 9.28 (s, 0.56H & 0.34H).

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.