Category: 50594-78-0

Application of 50594-78-0,Some common heterocyclic compound, 50594-78-0, name is 5-Fluoro-2-nitrobenzonitrile, molecular formula is C7H3FN2O2, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

Step 2: 5-(4-Methylpiperazinyl)-2-nitrobenzenecarbonitrile 5-Fluoro-2-nitrobenzenecarbonitrile (1.02 equivalents) and N-methylpiperazine (1.0 equivalents) were dissolved in NMP. Triethylamine (2.1 equivalents) was added, and the resulting solution heated at 100 C. for 1 hour. The solution was cooled to room temperature and poured into H2O. A precipitate formed which was filtered to yield the desired product as a green solid. LC/MS m/z 247.3 (MH+), Rt 1.46 minutes.

The synthetic route of 50594-78-0 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; CHIRON CORPORATION; US2005/256157; (2005); A1;; ; Patent; Chiron Corporation; US2005/261307; (2005); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Synthetic Route of 50594-78-0, 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. 50594-78-0, name is 5-Fluoro-2-nitrobenzonitrile, This compound has unique chemical properties. The synthetic route is as follows.

Step 1 : 6-(N-(3-cyano-4-nitrophenyl)methylsulfonamido)-5-cyclopropyl-2-(4-fluorophenyl)-N- methylbenzofuran-3-carboxamide A mixture of 5-fluoro-2-nitrobenzonitrile (1 .280 mL, 1 1 .18 mmol), 5-cyclopropyl-2-(4- fluorophenyl)-N-methyl-6-(methylsulfonamido)benzofuran-3-carboxamide (3.0 g, 7.45 mmol) and K2CO3 (3.09 g, 22.36 mmol) in 1 ,2-dimethoxyethane (30 mL) and water (7.5 mL) in a seal tube was heated to 80 0 C overnight. It was cooled down to room temperature, diluted with EtOAc, filtered and the off-white solid was washed with water and then dried in vacuo to give crude desired product as a yellow solid (80 % purity, 3.9 g, 76 %). LCMS {m/z, ES+) = 549 (M+H+)

The chemical industry reduces the impact on the environment during synthesis 5-Fluoro-2-nitrobenzonitrile. I believe this compound will play a more active role in future production and life.

Related Products of 50594-78-0, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 50594-78-0, name is 5-Fluoro-2-nitrobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

A mixture of methyl 5-hydroxy-2-[(4-methylphenyl)sulfonyl]aminobenzoate (252 mg, 0.785 mmol), 4-fluoro-2-cyanonitrobenzene (137 mg, 0.825 mmol), and potassium carbonate (271 mg, 1.96 mmol) in DMF (5 mL) was stirred at 80 C. for 2.5 hours. The reaction was diluted with EtOAc (40 mL) and washed with aq. 0.5 N KHSO4 (1¡Á40 mL) and aq. saturated NaHCO3 (1¡Á40 mL). The water layers were extracted once more with EtOAc (40 mL). The combined EtOAc-layers were dried (Na2SO4), filtered, and evaporated to dryness in vacuo. The crude product was purified by flash column chromatography (EtOAc/heptane: 1/3 to 1/1) to obtain the desired product as yellow solid (292 mg, 79%, purity (LC)=85%).MS: [M-H]-=466

The synthetic route of 5-Fluoro-2-nitrobenzonitrile has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Dams, Gery Karel Julia; Vereycken, Inge; Van Acker, Koenraad Lodewijk August; Gustin, Emmanuel Marie Paul Ernest; Verschueren, Wim Gaston; Ohagen, Asa Catrine; US2010/280268; (2010); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts