Analyzing the synthesis route of 82702-31-6

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 82702-31-6, name is Methyl 3-bromo-4-fluorobenzoate, A new synthetic method of this compound is introduced below., Computed Properties of C8H6BrFO2

2,6-dimethyl-4-(methylsulfonyl)phenol (0.307 g, 1.533 mmol), methyl 3-bromo-4-fluorobenzoate (0.375 g, 1.609 mmol) and cesium carbonate (0.749 g, 2.299 mmol) werecombined in dimethyl sulfoxide (1.533 mL) under argon in a sealed tube and heated at100 C for 24 hours. The mixture was partitioned between water and ethyl acetate. Theorganic layer was washed with saturated aqueous sodium chloride, dried over anhydrous sodium sulfate, filtered, and concentrated. Purification of the resulting residue by chromatography (silica, 20-40 % of 3:1 ethyl acetate/ethanol in heptanes) provided material that was 80-90 % pure. This material was triturated in 1:1 ethyl acetate/heptane to provide the title compound (0.29 g, 44 %).

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Reference:
Patent; ABBVIE INC.; ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD.; FIDANZE, Steven D.; HASVOLD, Lisa A.; LIU, Dachun; MCDANIEL, Keith F.; PRATT, John; SCHRIMPF, Michael; SHEPPARD, George S.; WANG, Le; LI, Bing; (191 pag.)WO2017/177955; (2017); A1;,
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