82777-09-1, name is 2′-Iodo-1,1′:3′,1”-terphenyl, 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 C18H13I
(2) In a 50-mL reaction container, XX-2 (109 mg, 0.243 mmol) and XX-3 (190.4 mg, 0.535 mmol) were mixed in a toluene/ethyl alcohol (3 mL/1.5 mL) mixture solvent, and dissolved oxygen was removed by nitrogen. Note that XX-3 is a compound synthesized in accordance with the procedure described in The Journal of Organic Chemistry, 51, 3162 (1986). Then, Pd(PPh3)4 (14.0 mg, 0.01215 mmol) and an aqueous solution of 2 M cesium carbonate (1.5 mL) were added to the mixture under a nitrogen atmosphere, followed by heating to 85C and reaction at the temperature for 12 hours. The reaction solution was cooled to room temperature,concentrated under reduced pressure, and subjected to silica gel chromatography (mobile phase: hexane/toluene = 3/1) for isolation and purification to obtain A-2 (35 mg, yield: 17%) as a white solid powder.[0083] Mass-spectrometry (MS) and nuclear magneticresonance spectrometry (NMR) of compound A-2 gave theresults that the molecular weight and the ratio ofintegrated values of NMR peaks well agreed with thestructure of compound A-2. Specifically, 846 as M+ of this compound was confirmed by matrix-assisted laser desorption- ionization mass spectrometry (MALDI-MS) . The measurement results of nuclear magnetic resonance spectrometry are shown below :1H-NMR (THF-d8) ? (ppm) : 7.52 (t, 2H) , 7.42 (d, 4H) , 7.38 (d, 2H) , 7.25 (m, 8H) , 7.19-7.11 (m, 12H) , 6.70 (s, 2H) .13C-NMR (THF-ds) ? (ppm): 142.31, 140.43, 139.64, 139.51, 139. 24, 130.03, 129.25, 128.29, 127.93, 127.16, 126.39, 125.24, 124.45, 121.91, 119.25.
The synthetic route of 82777-09-1 has been constantly updated, and we look forward to future research findings.
Reference:
Patent; CANON KABUSHIKI KAISHA; YAMADA, Kenji; OKADA, Shinjiro; WO2012/2185; (2012); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com