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[ CAS No. 261951-66-0 ]

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Chemical Structure| 261951-66-0
Chemical Structure| 261951-66-0
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Product Details of [ 261951-66-0 ]

CAS No. :261951-66-0 MDL No. :MFCD01631427
Formula : C8H9FO Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :140.15 g/mol Pubchem ID :-
Synonyms :

Safety of [ 261951-66-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P271-P302+P352-P305+P351+P338-P362-P403+P233-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 261951-66-0 ]

  • Downstream synthetic route of [ 261951-66-0 ]

[ 261951-66-0 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 135427-08-6 ]
  • [ 261951-66-0 ]
YieldReaction ConditionsOperation in experiment
The obtained compound was dissolved in a mixture of methanol and tetrahydrofuran and sodium borohydride was added to the solution. After 1 hour of stirring, the solvent was removed and water was added to the residue. The mixture was made acidic with 10% sulfuric acid, extracted with ethyl acetate, washed with brine, dried over sodium sulfate, and evaporated in vacuo to give 4-fluoro-3-methylbenzylalcohol (1.33 g) as an oil. IR (Neat): 3300, 1500, 1250 cm-1 NMR (CDCl3, delta): 2.28 (3H, s), 4.62 (2H, s), 6.93-7.26 (3H, m)
  • 2
  • [ 261951-66-0 ]
  • [ 261951-70-6 ]
YieldReaction ConditionsOperation in experiment
With carbon tetrabromide; triphenylphosphine In dichloromethane for 1h; 51 Preparation 51; Carbon tetrabromide (3.08 g) was added portion wisely to a solution of 4-fluoro-3-methylbenzylalcohol (1.3 g) and triphenylphosphine (2.9 g) in methylene chloride (50 ml) and the mixture was stirred for 1 hour. The solution was washed successively with saturated aqueous sodium hydrogen carbonate solution and brine, dried over sodium sulfate, and evaporated in vacuo. The residue was triturated with hexane and the resulting precipitate was removed by filtration. The filtrate was evaporated in vacuo and the residue was purified by column chromatography on silica gel with hexane as eluent to give 4-fluoro-3-methylbenzylbromide (1.28 g) as an oil. IR (Neat): 1500, 1250, 1200 cm-1 NMR (CDCl3, δ): 2.26 (3H, s), 4.45 (2H, s), 6.91-7.26 (3H, m)
YieldReaction ConditionsOperation in experiment
97%
  • 4
  • [ 261951-66-0 ]
  • [ 4367-98-0 ]
  • 6-[(4-fluoro-3-methyl-phenyl)methoxy]hexan-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% Stage #1: 4-fluoro-3-methylbenzyl alcohol With potassium hydroxide In toluene at 20℃; for 1h; Stage #2: 1-iodo-5-hexanone In toluene at 20℃; 72.a a) 6- j(4-Fluoro-3-methyl-phenyl)methoxyj hexan-2-one 2,4-Difluorobenzyl alcohol (98%, 390 mg, 2.65 mmol, 1.5 equiv.) was mixed with potassium hydroxide (85%, 175 mg, 1.5 equiv.). The neat reaction was stirred at room temperature for 1 h followed by the addition of 6-iodo-2-hexanone (400 mg, 1.77 mmol, 1 equiv.). After stirring the reaction at room temperature overnight it was then quenched with water and extracted with ethyl acetate (3x). The organic phases were washed with brine, dried oversodium sulfate, and the solvent was removed at reduced pressure. The residue was purified bycolumn chromatography (heptane/ethyl acetate 9:1) and the product was isolated in 181 mg (42%) yield; Prepared as described for 6- [(2,4-difluorophenyl)methoxy]hexan-2-one (Example 69b). Thereaction was performed in 0.5 mL toluene. Starting from 4-fluoro-3-methylbenzyl alcohol(250 mg, 1.78 mmol, 1.5 equiv.) and 6-iodohexan-2-one (269 mg, 1.19 mmol, 1 equiv.) yielded 220 mg (39%) of the product. MS (ESIj: m/z 239 [M+H]t
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