Simple exploration of 126-38-5

Reference of 126-38-5, A common heterocyclic compound, 126-38-5, name is 1-Bromo-2,2-dimethoxypropane, molecular formula is C5H11BrO2, its 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.

[0186] A mixture of 3-bromobenzenethiol (630 muL, 5.33 mmol), l-bromo-2,2- dimethoxypropane (715 muL, 5.29 mmol), and K2CO3 (1.10 g, 7.96 mmol) in DMF (11 mL) was heated at 150 0C for 2.5 hours. The crude reaction mixture was cooled, filtered, and concentrated. The residue was purified using flash chromatography (0-30% ethyl acetate in hexanes) to afford the title compound as a clear oil (1.66 g, 108% with some trapped solvent). The material was used as is for the next reaction. [0187] 1H NMR (500 MHz, DMSO-J6) delta 1.33 (s, 3H), 3.12 (s, 6H), 3.25 (s, 2H), 7.25 (dd, J = 8.4, 7.5 Hz, IH), 7.36 (dd, J = 7.9, 1.9 Hz, 2H), 7.54 (t, J= 1.8 Hz, IH)

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; TARGEGEN INC.; WO2009/26345; (2009); A1;,
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem