Category: 957207-58-8

957207-58-8, name is Methyl 4-bromo-2-(trifluoromethyl)benzoate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. SDS of cas: 957207-58-8

Example 6: Preparation of methyl 4-(1-fluorovinyl)-2-(trifluoromethyl)benzoate (C28) (0215) (0216) To a 100 mL round-bottomed flask was added 90 methyl 4-bromo-2-(trifluoromethyl)benzoate (2.25 g, 8.00 mmol), 91 (1-fluorovinyl)(methyl)diphenylsilane (3.58 g, 14.8 mmol), and 92 1,3-dimethylimidazolidin-2-one (40 mL). 65 Tetrakis(triphenylphosphine)palladium(0) (0.459 g, 0.400 mmol), 59 copper(I) iodide (0.0760 mg, 0.400 mmol), and 93 cesium fluoride (3.62 g, 23.9 mmol) were added and the reaction was stirred at room temperature for 24 hours under a nitrogen atmosphere. 70 Water was added to the mixture and the mixture was diluted with 3:1 hexanes/diethyl ether. The layer was separated, and the organic layer was dried over sodium sulfate, concentrated, and the residue purified by flash column chromatography provided the 94 title compound as a colorless oil (2.00 g, 96percent): 1H NMR (400 MHz, CDCl3) delta 7.96-7.87 (m, 1H), 7.83 (dq, J=8.1, 0.7 Hz, 1H), 7.77 (dd, J=8.2, 1.7 Hz, 1H), 5.23 (dd, J=48.6, 4.0 Hz, 1H), 5.07 (dd, J=17.4, 4.0 Hz, 1H), 3.95 (s, 3H); 19F NMR (376 MHz, CDCl3) delta ?59.92, ?108.73 (d, J=1.4 Hz); EIMS m/z 248 ([M]+).

The synthetic route of 957207-58-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Dow AgroSciences LLC; Barton, Thomas; Gao, Xin; Hunter, Jim; LePlae, Paul R.; Lo, William C.; Boruwa, Joshodeep; Tangirala, Raghuram; Watson, Gerald B.; Herbert, John; (176 pag.)US2017/208806; (2017); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Reference of 957207-58-8, In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 957207-58-8 as follows.

To a 100 mL round-bottomed flask was added methyl 4-bromo-2-(trifluoromethyl)benzoate (2.25 g, 8.00 mmol), fluorovinyl) (methyl)diphenylsilane (3.58 g, 14.8 mmol), and 1,3-dimethylimidazolidin-2-one (40 mL). Tetrakis(triphenylphosphine)palladium(0) (0.459 g, 0.400 mmol), copper(I) iodide (0.0760 mg, 0.400 mmol), and cesium fluoride (3.62 g, 23.9 mmol) were added and the reaction was stirred at room temperature for 24 hours under a nitrogen atmosphere. Water was added to the mixture and the mixture was diluted with 3:1 hexanes/diethyl ether. The layer was separated, and the organic layer was dried over sodium sulfate, concentrated, and the residue was purified by flash column chromatography provided the title compound as a colorless oil (2.00 g, 96percent): 1H NMR (400 MHz, CDCl3) delta 7.96-7.87 (m, 1H), 7.83 (dq, J=8.1, 0.7 Hz, 1H), 7.77 (dd, J=8.2, 1.7 Hz, 1H), 5.23 (dd, J=48.6, 4.0 Hz, 1H), 5.07 (dd, J=17.4, 4.0 Hz, 1H), 3.95 (s, 3H); 19F NMR (376 MHz, CDCl3) delta?59.92, ?108.73 (d, J=1.4 Hz); EIMS m/z 248 ([M]+)

According to the analysis of related databases, 957207-58-8, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Dow AgroSciences LLC; Barton, Thomas; Gao, Xin; Hunter, Jim; LePlae, JR., Paul R.; Lo, William C.; Boruwa, Joshodeep; Tangirala, Raghuram; Watson, Gerald B.; Herbert, John; (90 pag.)US2017/208804; (2017); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 957207-58-8, name is Methyl 4-bromo-2-(trifluoromethyl)benzoate, belongs to esters-buliding-blocks compound, 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 957207-58-8, COA of Formula: C9H6BrF3O2

To a solution of methyl 4-bromo-2-(trifluoromethyl)benzoate (537 mg, 1.67 mmol) in 13 mL of toluene was added at room temperature cyclopropylboronic acid (220 mg, 2.56 mmol), K3PO4 (641 mg, 3.02 mmol), water (0.4 mL) and Pd(Ph3)4 (193 mg, 0.167 mmol) and the resulting mixture was degassed for 10 minutes with a stream of N2. The reaction mixture was stirred at 110 C for 7 hours. Water was added and product was extracted with ethyl acetate (three times). The collected organic layers were dried over Na2SO4, filtered and evaporated in high vacuum to yield methyl 4-cyclopropyl-2-(trifluoromethyl)benzoate (crude, 802 mg) as agrey solid. MS found for C12H11F3O2 as (M+H)+ 245.0.

At the same time, in my other blogs, there are other synthetic methods of this type of compound, Methyl 4-bromo-2-(trifluoromethyl)benzoate, and friends who are interested can also refer to it.

Reference:
Patent; PHARMACYCLICS LLC.; ATALLAH, Gordana, Babic; CHEN, Wei; JIA, Zhaozhong, J.; POZZAN, Alfonso; RAVEGLIA, Lucal, Francesco; ZANALETTI, Riccardo; (815 pag.)WO2016/196776; (2016); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics