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[ CAS No. 395-48-2 ] {[proInfo.proName]}

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Chemical Structure| 395-48-2
Chemical Structure| 395-48-2
Structure of 395-48-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 395-48-2 ]

CAS No. :395-48-2 MDL No. :MFCD00142938
Formula : C8H7F3O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 176.14 Pubchem ID :-
Synonyms :

Safety of [ 395-48-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 395-48-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 395-48-2 ]

[ 395-48-2 ] Synthesis Path-Downstream   1~15

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YieldReaction ConditionsOperation in experiment
87% With potassium carbonate; In butanone;Heating / reflux; A stirred solution of 2-hydroxybenzotrifluoride (23.0 g, 142 MMOL) in 2- butanone (107 mL) was treated with potassium carbonate (25.51 g, 185 MMOL) and iodomethane (13.3 mL, 213 MMOL). The mixture was heated at reflux overnight under argon until the thin-layer chromatography showed a completed reaction. The mixture was cooled to room temperature and filtered through diatomaceous earth. The filtered solid was washed with acetone and the filtrate concentrated CAREFULLY IN VACUO without heating. The resulting crude liquid was purified by vacuum distillation to yield the title compound (21.79 g, 0.124 mol, 87%) as a colorless liquid. 7.56 (m, 2H, ArH-4,5), 7.20 (m, 1 H, ArH-6), 7.03 (M, 1 H, ArH-3), 3.83 (s, 3H,-OCH3-1)
With potassium carbonate; In ethyl acetate; acetone; INTERMEDIATE PRODUCTION EXAMPLE 1 1-Chloro-4-[(4-methoxy-3-trifluoromethyl)benzyl]amino}-6-phthalazine Carbonitrile A mixture of log 2-trifluoromethyl phenol, 17 g potassium carbonate, 150 ml acetone and 7.7 ml iodomethane was heated under reflux for 2 hr. After cooling, the insoluble matters were removed by filtration, and the filtrate was evaporated. The resulting residue was dissolved in ethyl acetate, and washed with water and brine. It was dried over anhydrous magnesium sulfate, filtered, and evaporated to give 12.15 g of 2-trifluoromethyl anisole.
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  • [ 694514-21-1 ]
YieldReaction ConditionsOperation in experiment
56% With chlorosulfonic acid In chloroform at 0 - 20℃; 58.b Step b) 4-METHOXY-3- (TRIFLUOROMETHYL) BENZENESULFONYL CHLORIDE A solution of 1-methoxy-2- (trifluoromethyl) benzene (10.0 g, 56.8 MMOL) in dry chloroform (76 mL) was cooled to 0°C and treated with CHLOROSULFONIC acid (7.55 mL, 113.5 MMOL) drop-wise under argon. After the addition was completed, the reaction mixture was gradually warmed to room temperature and stirred overnight. The reaction was quenched by pouring the mixture slowly onto ice. The separated, aqueous phase was extracted with chloroform (3x). The combined organic phase was washed sequentially with a saturated, aqueous sodium chloride solution (2x) and water. The organic phase was dried over anhydrous magnesium sulfate and concentrated in vacuo to yield the title compound (8.77 g. 31.9 mmol, 56%) as a gray solid ; MS [ (+ESI), M/Z] : 274 [M+H] + ; 1H NMR (500 MHz, DMSO-d6) 6 : 7.81 (dd, J = 8.6, 2.0 Hz, 1 H, ArH-6), 7.75 (d, 1 H, J = 2.1 Hz, ArH-2), 7.20 (d, 1 H, J = 8.7 Hz, ArH-5), 3.89 (s, 3H,-OCH3-4) ; Anal. calcd for C8H6CIF303S : C, 34.99 ; H, 2.2. Found: C, 34.98, H, 2.1.
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YieldReaction ConditionsOperation in experiment
In ethyl acetate; trifluoroacetic acid P.1 1-Chloro-4-[(4-methoxy-3-trifluoromethyl)benzyl]amino}-6-phthalazine Carbonitrile A mixture of 8.5 g 2-trifluoromethyl anisole and 7.0 g hexamethylene tetramine was stirred at 90° C. for 1.5 hr in 80 ml trifluoroacetic acid. The reaction solution was evaporated. The resulting residue was dissolved in ethyl acetate, and it was added dropwise into ice-cooled saturated aqueous sodium bicarbonate. The ethyl acetate layer was recovered and washed with brine. It was dried over anhydrous magnesium sulfate, filtered, and evaporated. The resulting residue was purified by silica gel column chromatography to give 5.8 g of 3-trifluoromethyl-p-anisaldehyde.
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  • [ 1072946-62-3 ]
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YieldReaction ConditionsOperation in experiment
Stage #1: 1-methoxy-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; hexane at 20℃; for 1h; Stage #2: With Triisopropyl borate In tetrahydrofuran; hexane at -78 - 20℃; for 16.5h; Stage #3: With hydrogenchloride; water In tetrahydrofuran; hexane 73 Reference Example 73 [2-methoxy-3-(trifluoromethyl)phenyl]boronic acid and [3-methoxy-2-(trifluoromethyl)phenyl]boronic acid; To a solution of 1-methoxy-2-(trifluoromethyl)benzene (6.30 g, 35.8 mmol) in THF (150 mL) was added n-BuLi (21.0 mL, 2.50 M hexane solution, 53.7 mmol), and the mixture was stirred at room temperature for 1 hr. The solution was cooled to -78°C, tris(1-methylethyl)borate (8.08 g, 43.0 mmol) was added, and the mixture was stirred at -78°C for 0.5 hr. The reaction solution was allowed to cool to room temperature and stirred for 16 hr. The mixture was acidified with 1M hydrochloric acid and extracted with ethyl acetate (300 mL). The extract was dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure to give a mixture (6.52 g, yield 83%) of [2-methoxy-3-(trifluoromethyl)phenyl]boronic acid and [3-methoxy-2-(trifluoromethyl)phenyl]boronic acid.
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YieldReaction ConditionsOperation in experiment
Stage #1: 1-methoxy-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; hexane at 20℃; for 1h; Stage #2: Triisopropyl borate In tetrahydrofuran; hexane at -78 - 20℃; for 16.5h; Stage #3: hydrogenchloride; water In tetrahydrofuran; hexane 73 To a solution of 1-methoxy-2-(trifluoromethyl)benzene (6.30 g, 35.8 mmol) in THF (150 mL) was added n-BuLi (21.0 ml, 2.50 M hexane solution, 53.7 mmol), and the mixture was stirred at room temperature for 1 hr. The solution was cooled to -78° C., tris(1-methylethyl)borate (8.08 g, 43.0 mmol) was added, and the mixture was stirred at -78° C. for 0.5 hr. The reaction solution was allowed to cool to room temperature and stirred for 16 hr. The mixture was acidified with 1M hydrochloric acid and extracted with ethyl acetate (300 mL). The extract was dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure to give a mixture (6.52 g, yield 83%) of [2-methoxy-3-(trifluoromethyl)phenyl]boronic acid and [3-methoxy-2-(trifluoromethyl)phenyl]boronic acid.
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  • (1,10-phenanthroline)(trifluoromethyl)copper(I) [ No CAS ]
  • [ 190788-60-4 ]
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  • [ 201733-56-4 ]
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YieldReaction ConditionsOperation in experiment
59% With bis(1,5-cyclooctadiene)nickel (0); sodium formate; tricyclohexylphosphine In toluene at 95℃; for 15h; Inert atmosphere;
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YieldReaction ConditionsOperation in experiment
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; di(1-adamantyl)-n-butylphosphine; palladium diacetate; In acetone; at 130℃; under 2250.23 - 11251.1 Torr; for 40h;Autoclave; Inert atmosphere; An oven-dried 4 mL vial with stir bar was charged with Pd(OAc)2 (10 mol%), BuPAd2 (20 mol%), TEMPO (1.0 eq), Cs2CO3 (2.0 eq), 1, 4 dimethoxybenzene (0.2 mmol, 1 eq). Then, acetone (0.5 mL) were injected into the vial under argon flow. The vial was placed in an alloy plate, which was transferred into a 300 mL autoclave of the 4560 series from Parr Instruments under an argon atmosphere. A pressure of 3 to 5 bar CF3Br followed by 15 bar of N2 wasadjusted at ambient temperature. The reaction mixture was stirred at 130C for 40 h. After the reaction was finished, the autoclave was cooled down to room temperature and the pressure was released.The reaction mixture was extracted with water and ethyl acetate (5 times, each time with 3 mL). The organic layers were washed with brine, dried over Na2SO4, and evaporated to yieldthe crude product. The yield was 81 %.The purification was done by flash chromatography on silica gel (eluent: heptanes:EtOAc =60:40 (v/v)). Isolated yield was 69%.
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