Category: 202982-68-1

Some common heterocyclic compound, 202982-68-1, name is 1-Chloro-4-fluoro-2-iodobenzene, molecular formula is C6H3ClFI, 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. Quality Control of 1-Chloro-4-fluoro-2-iodobenzene

To a suspension of 6-bromo- 1,2,3 ,4-tetrahydroisoquinolin- 1-one (1.0 g), 1-chloro-4-fluoro-2-iodobenzene (1.134 g), DMEDA (0.094 mL), and K3P04 (1.878 g) in toluene (10 mL) was added CuT (0.084 g) under nitrogen flow, and the mixture was stirred at 90C under nitrogen atmosphere overnight. Then, 1-chloro-4-fluoro-2-iodobenzene (0.3 g) was added thereto at room temperature, and the mixture was stirred at 90C under nitrogen atmosphere overnight. The mxiture was cooled, and then concentrated. The resulted crude product was purified by medium- pressure column chromatography (Hexane/AcOEt) to give 6-bromo-2-(2-chloro-S-fluorophenyl)- 1,2,3 ,4-tetrahydroisoquinolin- 1-one (0.75 g).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 202982-68-1, its application will become more common.

Reference:
Patent; OTSUKA PHARMACEUTICAL CO., LTD.; KAN, Keizo; TAKUWA, Masatoshi; TANAKA, Hirotaka; FUJIWARA, Hideto; YAMABE, Hokuto; MATSUDA, Satoshi; OHDACHI, Kazuhiro; HANARI, Taiki; MENJO, Yasuhiro; URUSHIMA, Tatsuya; FUJITA, Shigekazu; (183 pag.)WO2019/4421; (2019); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

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 202982-68-1 as follows. Recommanded Product: 202982-68-1

Example 131. Preparation of (4-(2-chloro-5-fluorophenyl)piperazin-1-yl)(5-phenylisoxazol-3-yl)methanone (297) To a solution of (5-phenylisoxazol-3-yl)(piperazin-1-yl)methanone (0.25 g, 0.851 mmol) and 1-chloro-4-fluoro-2-iodobenzene (0.327 g, 1.28 mmol) in toluene (5 mL) was added cesium carbonate (0.832 g, 2.55 mmol), tris(dibenzylideneacetone)dipalladium(0) (0.078 g, 0.085 mmol) and BINAP (0.053 g, 0.085 mmol). The reaction mixture was purged with nitrogen for 3 min and stirred at 115 C. in a sealed tube for 15 h. The mixture was quenched with water (10 mL) and extracted with ethyl acetate (15 mL*3). The combined organic layers were washed with brine (5 mL), dried over sodium sulfate, filtered and concentrated in vacuo. The crude product was purified by column chromatography (ISCO, 10 g silica, 8-10% ethyl acetate in petroleum ether, gradient over 15 min) and then by prep-HPLC (YMC-Actus ODS-AQ 100*30 5 mum column; 45-85% acetonitrile in an a 0.05% hydrochloric acid solution in water, 12 min gradient) to give (4-(2-chloro-5-fluorophenyl)piperazin-1-yl)(5-phenylisoxazol-3-yl)methanone hydrochloride salt (0.172 g, 0.404 mmol, 47%) as a white solid. 1H NMR (400 MHz, Chloroform-d) delta 7.89-7.80 (m, 2H), 7.57-7.46 (m, 3H), 7.40-7.31 (m, 1H), 6.89 (s, 1H), 6.82-6.71 (m, 2H), 4.20-4.10 (m, 2H), 4.08-3.97 (m, 2H), 3.18-3.13 (m, 4H); LCMS (ESI) m/z: 386.0 [M+H]+.

According to the analysis of related databases, 202982-68-1, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Yumanity Therapeutics, Inc.; WRONA, Iwona; TIVITMAHAISOON, Parcharee; TARDIFF, Daniel; PANDYA, Bhaumik; OZBOYA, Kerem; LUCAS, Matthew; BOURDONNEC, Bertrand Le; (259 pag.)US2019/330198; (2019); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com