20555-91-3, name is 1,2-Dichloro-4-iodobenzene, belongs to iodides-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Computed Properties of C6H3Cl2I
Palladium(II) acetate (0.17 g, 0.73 mmol) was added to a mixture of 1,2- dichloro-4-iodobenzene (2.00 g, 7.33 mmol), prop-2-en-l-ol (0.75 mL, 1 1 mmol), benzyltriethylammonium chloride (1.67 g, 7.33 mmol) and sodium bicarbonate (1.54 g, 18.3 mmol) in DMF (5 mL) and the mixture was degassed and back filled with Ar three times. The reaction mixture was heated at 60 C for 2 h. The mixture was diluted with Et20 (15 niL) and H2O (15 niL) and the mixture was filtered through a celite pad. The organic layer was separated and the aqueous layer was extracted with E20 twice. The combined organic layers were dried over MgS04, filtered and concentrated. The residue was purified by ISCO chromatography (EtOAc/Hexanes 0- 10% over 20 min, column 80 g, flow rate 40 mL/min) to give Intermediate 16A (1.0 g, 4.9 mmol, 67 % yield) as a yellow oil. 1H NMR (400 MHz, CHLOROFORM-d) delta ppm 2.78 (2 H, t, J=7.3 Hz), 2.91 (2 H, t, J=7.3 Hz), 7.03 (1 H, dd, J=8.2, 2.1 Hz), 7.29 (1 H, d, J=2.3 Hz), 7.35 (1 H, d, J=8.0 Hz), 9.81 (1 H, s).
The synthetic route of 20555-91-3 has been constantly updated, and we look forward to future research findings.
Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; ABELL, Lynn; ADAM, Leonard; CAVALLARO, Cullen L.; FINLAY, Heather; FRIENDS, Todd J.; HANGELAND, Jon J.; JIANG, Ji; LAWRENCE, R. Michael; QIAO, Jennifer X.; HU, Carol Hui; WANG, Tammy C.; WO2013/49096; (2013); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com