Category: 954815-11-3

Related Products of 954815-11-3,Some common heterocyclic compound, 954815-11-3, name is 4-Iodo-2-(trifluoromethyl)benzoic acid, molecular formula is C8H4F3IO2, 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.

To a solution of 4-iodo-2-(trifluoromethyl)benzoic acid (for a preparation see Intermediate 31 )(16.7 g, 52.8 mmol) in THF (150 ml) at ambient temperature under nitrogen was added 1.0 M borane-tetrahydrofuran complex (100 ml, 100 mmol, Aldrich) dropwise. The solution was heated to 80 0C for 1.5 h. To the solution at ambient temperature was added methanol (75 ml) and then heated to 80 0C for 1 h. The solvent was removed in vacuo to leave a mobile oil. The residue was partitioned between ethyl acetate (200 ml) and 2 N aqueous HCI (100 ml). The phases were separated and the organic phase washed with 2 N aqueous sodium hydroxide (100 ml), brine (50 ml), then dried (MgSO4), filtered and the solvent removed in vacuo to give [4-iodo-2-(trifluoromethyl)phenyl]methanol as a pale brown solid (14.8 g).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 4-Iodo-2-(trifluoromethyl)benzoic acid, its application will become more common.

Reference:
Patent; GLAXO GROUP LIMITED; ALLEN, David, George; COE, Diane, Mary; COOPER, Anthony, William, James; GORE, Paul, Martin; HOUSE, David; SENGER, Stefan; SOLLIS, Steven, Leslie; VILE, Sadie; WILSON, Caroline; WO2010/122089; (2010); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Adding a certain compound to certain chemical reactions, such as: 954815-11-3, name is 4-Iodo-2-(trifluoromethyl)benzoic acid, belongs to iodides-buliding-blocks compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 954815-11-3, SDS of cas: 954815-11-3

Under argon, first 3.34 g (7.90 mmol) of N-{2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl}-acrylamide from Example 2, Stage 1, and then 2.49 g (7.90 mmol) of 4-iodo-2-(trifluoromethyl)benzoic acid (commercially available, CAS Registry Number: 954815-11-3), 0.206 g (7.90 mmol) of triphenylphosphine, 88.4 mg (0.39 mmol) of palladium(II) acetate and 13.5 g (133 mmol) of triethylamine were initially charged in 67 ml of N,N-dimethylformamide, and the reaction mixture was stirred at 100 C. for 5 hours. After addition of water, the solution was extracted with ethyl acetate, and then the organic phase was washed three times with saturated sodium chloride solution and dried over sodium sulphate. The solvent was distilled off under reduced pressure and the residue was chromatographed on silica gel with ethyl acetate.Yield: 2.57 g (60% of theory).1H NMR (400 MHz, d6-DMSO) delta=6.10 (m, 1H), 6.93 (d, 1H), 7.6 (m, 1H), 7.69 (m, 1H), 7.75 (m, 2H), 7.85 (m, 1H), 7.95 (m, 1H), 7.99 (m, 1H), 9.38 (d, 1H).HPLC-MS: logP=3.29; mass (m/z): 486.0 (M+H)+.In analogy to the method described in Synthesis Example 2, Stage 2, the following compounds of the general formula (I-5) were also obtained:

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Reference:
Patent; Bayer CropScience AG; US2011/105532; (2011); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com