Discovery of Methyl 2-chloro-5-iodobenzoate

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.

Electric Literature of 620621-48-9, A common heterocyclic compound, 620621-48-9, name is Methyl 2-chloro-5-iodobenzoate, molecular formula is C8H6ClIO2, 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.

8.1 2-Chloro-5-(pyrimidin-4-ylamino)-benzoic acid methyl ester Sodium phenoxide (810 mg), tris(dibenzylideneacetone)dipalladium (0) (102 mg), Xantphos (161 mg) and methyl-2-chloro-5-iodobenzoate (1379 mg) were placed in a flask and flushed with argon. 4-aminopyrimidine (486 mg) and dioxane (27.5 mL) were added and the reaction mixture was heated to 120 C. for 18 h. After cooling to RT, it was diluted with EtOAc and washed with a 1M solution of NaOH. The organic phase was dried over MgSO4 and concentrated in vacuo. The crude material was purified by CC (Hept/EtOAc 1/1 to 0/1) to give 718 mg of the titled compound as a yellowish powder. LC-MS (B): tR=0.48 min; [M+H]+: 264.21.

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.