Category: 497832-99-2

Adding a certain compound to certain chemical reactions, such as: 497832-99-2, name is 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole, belongs to pyrazoles-derivatives 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 497832-99-2, SDS of cas: 497832-99-2

a) 6- (1 -Methyl-3- (trifluoromethyl)- 1 H-pyrazol-4-yl)-8 -((2-(trimethylsilyl)ethoxy)methoxy)-3-((2- (trimethylsilyl)ethoxy)methyl)guinazolin-4(3H)-oneA suspension of 4-bromo-1-methyl-3-trifluoromethyl-1H-pyrazole (0.02 g, 0.10 mmol), (6- (4,4,5 ,5-tetramethyl- 1,3 ,2-dioxaborolan-2-yl)- 8- ((2- (trimethylsilyl)ethoxy)methoxy)-3- ((2- (trimethylsilyl)ethoxy)methyl)quinazolin-4(3H)-one (0.05 g, 0.08 mmol, example 28), bis (diphenylphosphino)feffocene-palladium(II)dichloride (0.01 g, 0.01 mmol), potassiumcarbonate (0.03 g, 0.25 mmol) and water (0.2 ml) in dimethylformamide (1 ml) was stirred insealed tube at 100 C for 2 hours and then at 80 C overnight. Filtration and chromatography (C18 reverse phase HPLC, methanol / water = 40:60 to 100:0) yielded the title compound as white solid (0.005 g, 11 %). MS: mle = 571.6 [M+Hf?.

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Reference:
Patent; F. HOFFMANN-LA ROCHE AG; HOFFMANN-LA ROCHE INC.; BISSANTZ, Caterina; BONNAFOUS, Rene; BUETTELMANN, Bernd; JAKOB-ROETNE, Roland; LERNER, Christian; RUDOLPH, Markus; WO2014/102233; (2014); A1;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

497832-99-2, name is 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole, belongs to pyrazoles-derivatives 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: 497832-99-2

A mixture of 286 tert-butyldimethyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)silane (1.0 g, 3.0 mmol), 288 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole (822 mg, 3.6 mmol), and Pd(dppf)Cl2 (110 mg, 0.15 mmol), in a mixture of 80 acetonitrile (12 mL) and a 1 M aqueous solution of 179 NaHCO3 (5.4 mL) was bubbled with N2 for 1 min and then heated in a microwave reactor to 130 C. for 15 min. After cooling to rt, a 1 M solution of 289 TBAF in 10 THF (3 mL, 3 mmol) was added and the mixture was stirred at rt for 5 h, then diluted with CH2Cl2 and washed with water, brine, dried (MgSO4) and evaporated. The residue was purified (FCC, SiO2, 10-60% EtOAc/heptanes) to provide the 281 title compound (445 mg, 61% yield) as an off-white solid. 1H NMR (300 MHz, CDCl3) delta 7.45 (d, J=1.00 Hz, 1H), 7.28 (d, J=1.00 Hz, 2H), 6.88 (d, J=8.56 Hz, 2H), 5.16 (br s, 1H), 3.99 (s, 3H). [M+H]=243.2.

The synthetic route of 497832-99-2 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Dart NeuroScience, LLC; Bookser, Brett; Botrous, Iriny; Branstetter, Bryan; Dyck, Brian; Weinhouse, Michael; US2019/177327; (2019); A1;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Application of 497832-99-2,Some common heterocyclic compound, 497832-99-2, name is 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole, molecular formula is C5H4BrF3N2, 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 stuffed mixture of XXXX-1 (400 mg, 2.4 mmol), XXXX-2 (500 mg, 2.18 mmol), and K3P04 (2 M, 1.1 mL, 2.2 mmol) in dioxane (20 mL) was added Pd(dppf)C12 (160 mg, 0.2 18 mmol) under N2 protection. The reaction mixture was degassed with nitrogen again and stirred at 90C overnight. The mixture was concentrated, diluted with H20 (20 mL), extracted with EtOAc (30 mLx3). The combined organic layer was washed with brine, dried over anhydrous Na2SO4, and concentrated in vacuo. The residue was purified by column chromatography (PE/EA=2/ 1) to give XXXX-3 (400 mg, 67% yield).

The synthetic route of 497832-99-2 has been constantly updated, and we look forward to future research findings.

In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 497832-99-2 as follows. HPLC of Formula: C5H4BrF3N2

[1,1 ?-bis(diphcnylphosphino)ferrocene]dichloropalladium(II), complex with dichloromethane (0.64 g, 0.87 mmol) was added to a mixture of 4-bromo-1-methyl-3-(trifluoromethyl)-IH- pyrazole (2.0 g, 8.7 mmol), 2-fluoro-4-(4,4,5 ,5-tetramethyl- 1,3 ,2-dioxaborolan-2-yl)aniline (2.1 g, 8.7 mmol) and Na2CO3 (1.8 g, 17.4 mmol) in 1,4-dioxane (20 mL) and water (4 mL).The reaction mixture was stirred under nitrogen atmosphere at 120 C for 12 h. After cooling to room temperature the reaction mixture was filtered, concentrated in vacuo and the residue was purified by silica gel chromatography (petroleum ether/EtOAc3:1 to 1:1) to give the title compound (1.2 g, 55%) as a light yellow solid. LCMS MIZ (M+H) 260.

According to the analysis of related databases, 497832-99-2, the application of this compound in the production field has become more and more popular.