A new synthetic route of C7H3BrF3I

The synthetic route of 364-12-5 has been constantly updated, and we look forward to future research findings.

364-12-5, name is 5-Bromo-2-iodobenzotrifluoride, 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. Recommanded Product: 364-12-5

[0088] Step A: Preparation of 1 -(4-bromo-2-(trifluoromethyl)phenyl)-2,2-dimethylpropan- 1-one [0089] 4-Bromo-1-iodo-2-(trifluoromethyl)benzene(2.0 g, 5.70 mmol, 1.0 equiv) was placed in an oven-dried scintillation vial and dissolved in THF (11.4 mL). Isopropylmagenesium chloride lithium chloride complext (5.7 mL of a 1.3 M solution in ether, 7.41 mmol, 1.3 equiv) was added, and the resultant dark brown solution was stuffed at rt for 2 h. The Grignard solution was then added dropwise to a solution of trimethylacetyl chloride (0.893 g, 7.41 mmol, 1.3 equiv in 11 mL THF) and the reaction was stuffed overnight. The reaction was quenched carefully with sat. NH4C1, diluted with ethyl acetate and water, and the layers were separated. The aqueous layer was extracted with ethylacetate (xl) and the combined organics were washed with brine, dried over sodium sulfate, filtered and concentrated. Purification by silica gel chromatography eluting with a 5% ethyl acetate/hexane gradient afforded 1.05 g (3.40 mmol, 60% yield) of the title compound as a yellow oil. ?H NMR (400 MHz, CDC13) oe 7.83 (d, J= 1.9 Hz, 1H), 7.69 (ddd, J= 8.3, 1.9, 0.7 Hz, 1H), 7.17 (d, J= 8.2 Hz, 1H), 1.25 (s, 9H); ?3C NMR (126 MHz, CDC13) oe 211.1, 138.3, 134.3, 130.1 (q, J= 4.5 Hz), 126.9, 123.7, 122.8, 121.5, 44.7, 27.6; ESIIVIS m/z 310 [M+Hf?.

The synthetic route of 364-12-5 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; DOW AGROSCIENCES LLC; LOSO, Michael R.; GUSTAFSON, Gary D.; KUBOTA, Asako; YAP, Maurice C.; BUCHAN, Zachary A.; STEWARD, Kimberly M.; SULLENBERGER, Michael T.; HOEKSTRA, William J.; YATES, Christopher M.; WO2015/160664; (2015); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com