Category: 873107-98-3

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. 873107-98-3, name is 5-Iodo-2-(trifluoromethyl)pyridine. This compound has unique chemical properties. The synthetic route is as follows. Recommanded Product: 5-Iodo-2-(trifluoromethyl)pyridine

In a microwave vial, 3-ethylsulfanyl-2-(1 H-1 ,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine (274 mg, 1 .0 mmol) and 5-iodo-2-(trifluoromethyl)pyridine (409 mg, 1 .50 mmol) were dissolved in dry DMF (3 ml) and potassium carbonate (276 mg, 2.00 mmol) was added. The vial was closed and the mixture was heated in the microwave at 140C for 6 h. The reaction mixture was partitioned between EtOAc and brine/water (1/1 ). After washing and separation, the organic layer was washed with water/brine (1/1 ), dried over sodium sulfate and concentrated. The crude product was purified over silica by flash column chromatography (5 to 75% gradient of EtOAc in heptane). The fractions containing product were combined and concentrated. The crude product was again purified over silica by flash column chromatography (0 to 2.5% gradient of MeOH in CH2CI2) to afford the compound P1 .1 (221 mg) as a solid, mp 174.5-175.5C. LCMS (method 2): 420 (M+H)+, retention time 3.85 min. H-NMR (CDCI3, ppm) 1 .45 (3H), 3.07 (2H), 7.91 (1 H), 7.93 (1 H), 8.38 (1 H), 8.79 (1 H), 8.87 (1 H), 9.26 (1 H).

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Reference:
Patent; SYNGENTA PARTICIPATIONS AG; MUEHLEBACH, Michel; TITULAER, Ruud; EMERY, Daniel; EDMUNDS, Andrew; STOLLER, Andre; JUNG, Pierre Joseph Marcel; JEANGUENAT, Andre; BUCHHOLZ, Anke; (82 pag.)WO2016/12395; (2016); A1;,
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

As we all know, there are many different methods for the synthesis of a compound, and people can choose the synthesis method that suits their own laboratory according to the actual situation. 873107-98-3, name is 5-Iodo-2-(trifluoromethyl)pyridine, molecular formula is C6H3F3IN, The compound is widely used in many fields, so it is necessary to find a new synthetic route. The downstream synthesis method of this compound is introduced below. Application In Synthesis of 5-Iodo-2-(trifluoromethyl)pyridine

Step 2: ethyl 2,2-difluoro-2-(6-(trifluoromethyl)pyridin-3-yl)acetate [0252] To a solution of 5-iodo-2-(trifluoromethyl)pyridine (14.5 g, 53.2 mmol) and ethyl 2- bromo-2,2-difluoroacetate (10.8 g, 53.2 mmol) in DMF (250mL) was added Cu powder (6.76g, 106.4mmol). The mixture was heated to 80C for 20 hours. After 20 hours, the reaction mixture was poured into a solution of dibasic potassium hydrogen phosphate, trihydrate (121 g, 532 mmol) in water (1500 mL) with vigorous stirring. The suspension was filtered and the solid was rinsed with ether. The filtrate was added to brine and extracted with ether (2x). The combined organics were washed with brine, dried over sodium sulfate, filtered, and concentrated. The concentrate was purified by column chromatography over silica gel (hexane/EtOAc=50: l) to afford the title compound as a colorless liquid (8.96g, 63%). MS (ESI) calcd for CioH8F5N02: 269.2; found: 270.3 [M+H]. 1H NMR (400 MHz, CDCls) delta 8.98 (s, 1H), 8.14 (d, J= 8.2 Hz, 1H), 7.81 (d, J= 8.2 Hz, 1H), 4.35 (q, J = 7.1 Hz, 2H), 1.34 (t, J = 7.1 Hz, 3H).

With the rapid development of chemical substances, we look forward to future research findings about 873107-98-3.

Reference:
Patent; RUGEN HOLDINGS (CAYMAN) LIMITED; SHAPIRO, Gideon; (119 pag.)WO2015/187845; (2015); A1;,
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Adding a certain compound to certain chemical reactions, such as: 873107-98-3, 5-Iodo-2-(trifluoromethyl)pyridine, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound, Safety of 5-Iodo-2-(trifluoromethyl)pyridine, blongs to pyridine-derivatives compound. Safety of 5-Iodo-2-(trifluoromethyl)pyridine

A mixture of 5-iodo-2-(trifluoromethyl)pyridine (0.1 1 g, 0.39 mmol), Intermediate 21 (100 mg, 0.33 mmol), Pd2(dba)3 (15 mg, 0.02 mmol), xantphos (9.4 mg, 0.02 mmol) and Cs2C03 (0.21 g, 0.65 mmol) in anhydrous dioxane (10 mL) was heated at 100C for 19 hrs. The reaction mixture was cooled to ambient temperature, concentrated in vacuo and the crude product purified by chromatography on the Biotage Companion (40 g column, 0 to 60%, EtOAc in isohexane) and the further purified by chromatography on the Biotage Companion (12 g column, 0 to 5% methanol in DCM) to afford the title compound as a solid (45 mg). LCMS (Method A): Two peaks at 2.25 min and 2.49 min, 453/455 [M+H]+. 1H NMR (400 MHz, DMSO-d6) 8.17-8.10 (m, 1 .59 H), 8.06 (s, 0.91 H), 8.03-7.95 (m, 0.32 H), 7.95-7.86 (m, 0.62 H), 7.83 (d, 0.08 H), 7.79 (d, 0.32 H), 7.74-7.64 (m, 0.81 H), 7.54 (d, 0.67 H), 7.50-7.40 (m, 1 .07 H), 7.36 (d, 0.12 H), 7.16-7.07 (m, 1 .03 H), 6.92-6.81 (m, 0.84 H), 6.81 -6.72 (m, 0.46 H), 6.70 (bdd, 0.08 H), 6.40 (bm, 0.08 H), 4.62 (bm, 0.32 H), 4.43 (bm, 0.15 H), 3.58 (bm, 0.09 H), 3.35 (bm, 0.52 H), 3.19 (bm, 0.42 H), 3.01 (bm, 0.08 H), 2.88 (s, 2.39 H), 2.83 (s, 0.62 H), 2.68 (bm, 2.12 H), 1.78- 1 .52 (bm, 1.21 H), 1.35 (bm, 0.15 H), 0.97 (m, 1.98 H), 0.89 (t, 0.39 H), 0.51 (t, 0.56 H).

The synthetic route of 873107-98-3 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; C4X DISCOVERY LIMITED; BLANEY, Emma Louise; MARTIN, Barrie Phillip; NOWAK, Thorsten; WATSON, Martin John; (212 pag.)WO2016/34882; (2016); A1;,
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem