The origin of a common compound about 7170-01-6

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 7170-01-6.

Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 7170-01-6, name is 3-Methyl-1H-1,2,4-triazole, This compound has unique chemical properties. The synthetic route is as follows., Application In Synthesis of 3-Methyl-1H-1,2,4-triazole

A mixture of tris(dibenzylideneacetone)dipalladium(0) (98%, 94.7 mg, 0.101 mmol) and di-tert-butyl[3,4,5,6-tetramethyl-2?,4?,6?-tri(propan-2-yl)biphenyl-2-yl]phosphane (95%, 103 mg, 0.203 mmol) in toluene (10 mL) was degassed with nitrogen for 5 minutes, then heated at 125 C. for 3 minutes. In a separate flask, a mixture of C43 (1.70 g, 3.38 mmol), 3-methyl-1H-1,2,4-triazole (561 mg, 6.75 mmol), and potassium phosphate (1.48 g, 6.97 mmol) in toluene (10 mL) and 1,4-dioxane (10 mL) was degassed with nitrogen for 10 minutes. The catalyst solution was transferred to the reaction flask via syringe, and the reaction mixture was heated at 125 C. for 2 hours, whereupon it was partitioned between water and ethyl acetate. The organic layer was dried over sodium sulfate, filtered, and concentrated in vacuo; silica gel chromatography (Gradient: 50% to 100% ethyl acetate in heptane) provided the product as an off-white solid. Yield: 1.3 g, 2.6 mmol, 77%. LCMS m/z 506.4 [M+H]+. 1H NMR (400 MHz, CDCl3), characteristic peaks: delta 9.52 (br s, 1H), 8.21 (d, J=7.9 Hz, 1H), 7.38 (d, J=7.8 Hz, 1H), 7.25-7.31 (m, 1H, assumed; partially obscured by solvent peak), 6.68 (d, J=10.0 Hz, 1H), 5.05 (d, J=15.2 Hz, 1H), 4.20-4.32 (m, 2H), 3.53-3.62 (m, 1H), 3.14 (d, J=15.2 Hz, 1H), 2.49 (s, 3H), 1.84 (s, 3H), 1.00 (d, J=6.6 Hz, 1H), 0.69 (d, J=6.5 Hz, 1H).

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 7170-01-6.

Reference:
Patent; Pfizer Inc.; Pettersson, Martin Youngjin; am Ende, Christopher William; Johnson, Douglas Scott; Kauffman, Gregory Wayne; Stepan, Antonia Friederike; Verhoest, Patrick Robert; (64 pag.)US2016/222007; (2016); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics