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[ CAS No. 116640-11-0 ]

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Chemical Structure| 116640-11-0
Chemical Structure| 116640-11-0
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Product Details of [ 116640-11-0 ]

CAS No. :116640-11-0 MDL No. :MFCD19441183
Formula : C7H3F5O Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :198.09 g/mol Pubchem ID :14209863
Synonyms :

Safety of [ 116640-11-0 ]

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

Application In Synthesis of [ 116640-11-0 ]

  • Downstream synthetic route of [ 116640-11-0 ]

[ 116640-11-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 116640-11-0 ]
  • [ 1256354-40-1 ]
  • [ 1208385-76-5 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate;tetrabutylammomium bromide; In N,N-dimethyl-formamide; at 95℃; for 1.5h;Inert atmosphere; Synthesis of Compound (S1-11) 16.5 g of Compound (S1-9), 5.0 g of <strong>[116640-11-0]3,5-difluoro-4-trifluoromethylphenol</strong> (S1-10), 10.5 g of potassium carbonate, 0.5 g of tetrabutylammonium bromide, and 150 ml of N,N-dimethylformamide (DMF) were added into a reactor under nitrogen atmosphere, and stirred for 90 min at 95C. After being warmed to 25C, the reaction mixture was poured into 50 ml of ice water and mixed, 100 ml of toluene was added to separate the organic layer from the aqueous layer for extraction, the organic layer was decanted, washed with a saturated aqueous sodium bicarbonate solution and saline, and dried over anhydrous magnesium sulfate. The resulting solution was concentrated under vacuum, and the residue was purified by silica-gel column chromatography with heptane as a developing agent. The product was further purified by recrystallized in a mixed solvent of ethanol/ethyl acetate=9/1, and dried to obtain 5.5 g of (S1-11). The yield of (S1-11) from (S1-8) was 23.3%. The phase transition temperature of the resulting Compound (S1-11) is as follows. Phase transition temperature (C): K 83.7 I. It can be known that the melting point of Compound (S1-11) is low. The resulting compound was identified as (S1-9) from the following chemical shifts delta (ppm) obtained with 1H-NMR analysis in which CDCl3 was used as a solvent. Chemical shifts delta(ppm): 7.53 (m, 1H), 7.37-7.33 (m, 2H), 7.12-7.07 (m, 3H), 7.04-7.01 (m, 3H), 2.67 (t, 2H), 1.67-1.61 (m, 2H), 1.43-1.35 (m, 2H), 0.96 (t, 3H).
  • 2
  • [ 116640-11-0 ]
  • C18H16Br2F4 [ No CAS ]
  • C25H17F9O [ No CAS ]
YieldReaction ConditionsOperation in experiment
38% Under a nitrogen atmosphere, compound (T-20)(1.33 g), potassium carbonate (2.66 g), TBAB (0.413 g) and DMF (40.0 mL) were put in a reaction vessel, and the resultingmixture was stirred at 90 C. for 30 minutes. Thereto, a DMF (20.0 mL) solution of compound (T-19)(3.00 g) was slowly added, and the resulting mixture was stirred at 90 C.for 2 hours. The reaction mixture was poured into ice water, and the resulting aqueous layer was subjected to extraction with toluene. Then, organic layers combined werewashed with brine, and dried over anhydrous magnesium sulfate. The resulting solution was concentrated under reduced pressure, and the residue was purified by silica gelchromatography (heptane) to give compound (T-21)(1.22 g 38%).
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