Electric Literature of 7170-01-6, New Advances in Chemical Research in 2021. Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. 7170-01-6, name is 3-Methyl-1H-1,2,4-triazole, molecular formula is C3H5N3, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.
Step 1. Preparation of 3-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole A mixture of 1-fluoro-4-nitrobenzene (1.54 g, 10.9 mmol), 3-methyl-1H-1,2,4-triazole (1.00 g, 12.0 mmol) and K2CO3 (1.66 g, 12.0 mmol) in DMF (30 ml) was stirred at 75 C. for 12 hours. After being cooled to room temperature, the reaction mixture was concentrated in vacuo. The mixture was dissolved in EtOAc, washed with saturated aq. NaHCO3, dried over Na2SO4, filtered and concentrated in vacuo. The residue was purified by column chromatography on SiO2 (Hex:EA=2:1) to give the desired product (0.500 g, 22%) as a brown solid. 1H NMR (400 MHz, CDCl3) delta 2.52 (3H, s), 7.85-7.88 (2H, m), 8.37-8.40 (2H, m), 8.58 (1H, s). LC-MS m/z=205.0 [M+H]+.
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Reference:
Patent; CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD.; US2012/53180; (2012); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics