Some tips on 4-Chloro-2-methylbenzonitrile

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.

50712-68-0, 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. 50712-68-0, name is 4-Chloro-2-methylbenzonitrile, A new synthetic method of this compound is introduced below.

2-(bromomethyl)-4-chlorobenzonitrileInto a 50-mL round-bottom flask, was placed a mixture of 4-chloro-2-methylbenzonitrile (1 g, 6.60 mmol, 1.00 equiv), CCl4 (15 mL), NBS (1.29 g, 7.25 mmol, 1.10 equiv) and BPO (50 mg, 0.20 mmol, 0.03 equiv). The resulted solution was stirred for 16 h at 80 C. The reaction mixture was cooled to 25 C. Then it was washed with 3¡Á15 mL of water. The organic phase was dried over anhydrous sodium sulfate and concentrated under vacuum. The residue was purified by a silica gel column and eluted with ethyl acetate/ hexane (1:50). This resulted in 0.45 g (30%) of 2-(bromomethyl)-4-chlorobenzonitrile as a light yellow solid. LC-MS (ESI) m/z: Calculated for C8H5BrClN: 228.9. found: 230 [M+H]+.

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; Global Blood Therapeutics, Inc.; Li, Zhe; Xu, Qing; Yu, Chul; Yee, Calvin; Gwaltney,, II, Stephen L.; Metcalf, Brian W.; Richards, Steven; Lardy, Matthew A.; Setti, Lina; Sham, Hing; US2015/315198; (2015); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts