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[ CAS No. 1197231-94-9 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1197231-94-9
Chemical Structure| 1197231-94-9
Chemical Structure| 1197231-94-9
Structure of 1197231-94-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1197231-94-9 ]

CAS No. :1197231-94-9 MDL No. :MFCD16839140
Formula : C9H6BrF3O Boiling Point : -
Linear Structure Formula :- InChI Key :FBMIDZPWGMPHMY-UHFFFAOYSA-N
M.W : 267.04 Pubchem ID :62691203
Synonyms :

Safety of [ 1197231-94-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P301+P312-P330 UN#:N/A
Hazard Statements:H302-H315-H320-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1197231-94-9 ]

* 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 [ 1197231-94-9 ]

[ 1197231-94-9 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 320-31-0 ]
  • 1-(4-bromo-2-(trifluoromethyl)phenyl)ethan-1-one [ No CAS ]
  • 2
  • [ 1917723-75-1 ]
  • [ 75-16-1 ]
  • [ 1197231-94-9 ]
YieldReaction ConditionsOperation in experiment
82% In tetrahydrofuran at 0℃; for 5h; 1 Synthesis of 1 -(4-bromo-2-(trifluoromethyl)phenyl)ethanone (134); Synthesis of 1 -(4-bromo-2-(trifluoromethyl)phenyl)ethanone (134); 4-Bromo-N- methoxy-N-methyl-2-(trifluoromethyl)benzamide (133; 5 g, 16 mmol) was dissolved in 20 mL of THF. CH3MgBr (26 mL 80 mmol, 3 N in THF) was added at 0 °C drop wise. After the addition, the mixture was stirred at 0 °C for 5 h, poured into 40 mL of NH4C1 aqueous solution, extracted with EtOAc (50 mL X 3). The combined organic layers were washed with brine, dried over anhydrous Na2504, concentrated and purified by silica gel chromatography (20% EtOAc/petroleum ether) to afford 3.5 g of 1-(4-bromo-2- (trifluoromethyl)phenyl)ethanone 134 as yellow oil (82% yield). LCMS: tR = 1.97 min
  • 3
  • [ 1197231-94-9 ]
  • [ 1697955-36-4 ]
YieldReaction ConditionsOperation in experiment
33% With Oxone; ammonium bromide In methanol at 70℃; for 12h; 1 Synthesis of 2-bromo- 1 -(4-bromo-2-(trifluoromethyl)phenyl)ethanone (135): Synthesis of 2-bromo- 1 -(4-bromo-2-(trifluoromethyl)phenyl)ethanone (135): 1- (4-Bromo-2-(trifluoromethyl)phenyl)ethanone (134; 3.5 g, 13.1 mmol) was dissolved in 60 mL of MeOH. NH4Br (1.3 g, 13.1 mmol) and oxone (24.2 g, 39.3 mmol) were added. The mixture was stirred at 70 °C for 12 h. After cooling to room temperature, the mixture was quenched with sodium thiosulfate aqueous solution, extracted with EtOAc (150 mL X 3). The combined organic solvents were washed with brine, dried over anhydrous Na2504, concentrated and purified by Prep-HPLC to give 1.5 g of 2-bromo- 1 -(4-bromo-2- (trifluoromethyl)phenyl)ethanone 135 as yellow solid (33% yield). LCMS: tR = 1.82 min
  • 4
  • [ 364-12-5 ]
  • [ 97674-02-7 ]
  • 1-(4-bromo-2-(trifluoromethyl)phenyl)ethan-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dichlorobis(triphenylphosphine)palladium(II); In toluene; at 100℃; for 0.5h; Step 1: 1-(4-bromo-2-(trifluoromethyl)phenyl)ethanone MS: 266.9 [M++1]
  • 5
  • [ 1197231-94-9 ]
  • [ CAS Unavailable ]
  • [ 2137978-33-5 ]
YieldReaction ConditionsOperation in experiment
72.4% In water; N,N-dimethyl-formamide at 0 - 20℃; for 1h; 25.2 Step 2: Step 2: 1-(2-(trifluoromethyl)-4-(methylthio)phenyl)ethanone To a stirred solution of 1-(4-bromo-2-(trifluoromethyl)phenyl)ethanone (0.630 g, 2.359 mmol) in DMF (10 mL) was added 21% aq. solution of sodium thiomethoxide (0.215 mg, 3.06 mmol) at 0° C. and stirred for 1 h at room temperature. Progress of reaction was monitored by TLC. On completion, D.M. water was added to reaction mixture and extracted with EtOAc. Organic layers were combined, dried over sodium sulphate and concentrated under reduced pressure to give crude product. Crude product was purified by column chromatography using (silica gel, 100-200 mesh, 0-8% EtOAc in hexane as eluent) to give 1-(2-(trifluoromethyl)-4-(methylthio)phenyl)ethanone (0.4 g, 72.4%) as yellow oil. MS: 235.03 [M++1]
  • 6
  • [ 2447047-48-3 ]
  • [ 1197231-94-9 ]
YieldReaction ConditionsOperation in experiment
96% With bromobenzene; sulfuric acid at 120 - 130℃; for 2h; 1.4; 4 step 4 Add 40g of 75% sulfuric acid solution, 180g of bromobenzene, 84.1g (0.219mol) of dimethyl 2-(4-bromo-2-(trifluoromethyl)benzoyl)malonate into a 500ml four-necked flask, The temperature is increased to 120°C to 130°C, and the temperature is kept for 2 hours. The reaction ends when no gas is generated. Cool down to room temperature, let stand to separate the water layer, then wash with 5% sodium bicarbonate solution, separate layers, desolvate the organic layer to recover bromobenzene, and then rectify to obtain 4-bromo-2-trifluoromethylacetophenone, 56.1g, yield, 96% and a purity of 99.7% HPGC-MS Rt =9.03min; mass=266.
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