Nitrogenous aromatic heterocyclic nitro compound as well as preparation method and application thereof
A technology for nitro compounds and aromatic heterocycles, which is applied in the field of nitrogen-containing aromatic heterocycle nitro compounds and their preparation, and can solve the problems of limited types of synthetic heterocycles, lengthy synthetic routes, complicated operations, etc.
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[0041] The present invention also provides a method for preparing the nitrogen-containing aromatic heterocyclic nitro compound described in the above technical scheme, comprising the following steps:
[0042] a) Under an inert atmosphere, the compound of the structure shown in the formula (I), the compound of the structure shown in the formula (II), a metal catalyst, an alkali metal compound and a solvent are mixed and reacted to obtain a nitrogen-containing aromatic heterocyclic nitro compound ;
[0043]
[0044] In formula (I), R1 is selected from H, C1~C18 aliphatic hydrocarbons or C1~C18 aromatic hydrocarbons;
[0045]
[0046] In formula (II), X, Y, and Z are independently selected from C or N, and at least two of X, Y, and Z are C; R2 is selected from Cl, Br, I, OH, OAc, OMs or OTf; R3 is selected from Cl, Br, I, OH, OAc, OMs, OTf, NH 2 or NO 2 .
[0047] In the present invention, the inert atmosphere is preferably a nitrogen atmosphere or an argon atmosphere. ...
Embodiment 1
[0090] (1) Under nitrogen protection, 4-nitrophenylboronic acid pinacol ester (0.11mol, 27.40g), 2,5-dichloropyridine (0.05mol, 7.40g), 1,3-bis(di Phenylphosphinopropane) nickel dichloride (0.003mol, 1.63g), anhydrous potassium carbonate (0.5mol, 69.10g), 80mL toluene and 80mL deionized water were added to a 250mL round-bottomed flask in sequence, and the reaction system was heated at 90°C Stir under reflux, TLC monitoring until 2,5-dichloropyridine completely disappears, stop the reaction, cool to room temperature, a large amount of solids precipitate out, filter the solids and wash them with deionized water, toluene and methanol for several times, and then dry them in vacuum. The crude product was obtained; after the crude product was purified, 13.97 g of a brown solid was finally obtained, namely 2,5-bis(4-nitrophenyl)pyridine, with a yield of 87%.
[0091] 1 H NMR (400MHz, DMSO-d 6 ,100℃)δ9.12(d,J=2.4Hz,1H),8.39(d,J=8.8Hz,2H),8.31(d,J=8.4Hz,5H),8.19(d,J=8.4Hz ,1H),8.06(...
Embodiment 2
[0099] (1) Under nitrogen protection, 4-nitrophenylboronic acid (0.11mol, 18.36g), 5-bromo-2-chloropyrimidine (0.05mol, 9.67g), bis(triphenylphosphine) dichloride Palladium (0.002mol, 1.40g), anhydrous potassium carbonate (0.5mol, 69.10g), 80mL toluene and 80mL deionized water were successively added in a 250mL Schlenk bottle, and the reaction system was stirred and refluxed at 100°C, and TLC monitored until 5- Bromo-2-chloropyrimidine completely disappeared, the reaction was stopped, and a large amount of solids precipitated after cooling to room temperature. After the solids were filtered and washed with deionized water, toluene and methanol several times in sequence, the crude product was obtained by vacuum drying; the crude product was purified , and finally obtained 13.32 g of a yellow solid, namely 2,5-bis(4-nitrophenyl)pyrimidine, with a yield of 83%.
[0100] 1 H NMR (400MHz, DMSO-d 6 ,100℃)δ9.34(s,2H),8.66(d,J=8.8Hz,2H),8.33(d,J=8.8Hz,4H),8.13(d,J=8.8Hz,2H).
[010...
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