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Chemical Structure| 725743-41-9 Chemical Structure| 725743-41-9

Structure of 725743-41-9

Chemical Structure| 725743-41-9

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Product Details of [ 725743-41-9 ]

CAS No. :725743-41-9
Formula : C8H5BrClFO
M.W : 251.48
SMILES Code : FC1=CC(Cl)=CC=C1C(CBr)=O
MDL No. :MFCD13194236
InChI Key :LTPOJPRHJHZZSM-UHFFFAOYSA-N
Pubchem ID :22121443

Safety of [ 725743-41-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 725743-41-9 ]

* 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 [ 725743-41-9 ]

[ 725743-41-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 175711-83-8 ]
  • [ 725743-41-9 ]
YieldReaction ConditionsOperation in experiment
95% With 4-(dimethylamino)pyridine tribromide; In acetic acid; at 20℃; for 24h; A mixture of <strong>[175711-83-8]4'-chloro-2'-fluoroacetophenone</strong> (17.5 g, 100 mmol), 4-(dimethylamino)pyridine tribromide (40.0 g, 110 mmol) and acetic acid (100 mL) was stirred at room temperature for 24 h. Water (150 mL) was added and after stirring for 30 min the precipitated solid was collected by filtration, washed with water, and dried in vacuo to give the desired bromide intermediate as a white solid (24 g, 95%).
95% With 4-dimethylaminopyridine tribromide; acetic acid; at 20℃; for 24h; A mixture of 4?-chloro-2?-fluoroacetophenone (17.5 g, 100 mmol), 4- (dimethylamino)pyridine tribromide (40.0 g, 110 mmol) and acetic acid (100 mL) was stirred room temperature for 24 h. Water (150 mL) was added and after stirring for 30 mm the precipitated solid was collected by filtration, washed with water, and dried in vacuo to give the desired bromide intermediate as a white solid (24 g, 95%).
95% With 4-(dimethylamino)pyridine tribromide; acetic acid; at 20℃; for 24h; A mixture of 4?-chloro-2?-fluoroacetophenone (17.5 g, 100 mmol), 4-(dimethylamino)pyridine tribromide (40.0 g, 110 mmol) and acetic acid (100 mE) was stirred at room temperature for 24 h. Water (150 mE) was added and after stirring for 30 mm the precipitated solid was collected by filtration, washed with water, and dried in vacuo to give the desired bromide intermediate as a white solid (24 g, 95%).
85.8% With pyridinium hydrobromide perbromide; In tetrahydrofuran; at 25℃; for 2h;Green chemistry; As shown in Figure 2, Tetrahydrofuran (400 mL) and <strong>[175711-83-8]2-fluoro-4-chloroacetophenone</strong> (74.2 g, 1.0 eq) were added to the reaction flask at room temperature, stirred and dissolved completely, and the temperature was controlled at 25 C. A solution of pyridinium tribromide (137.5 g, 1.0 eq) in tetrahydrofuran was added dropwise. The reaction system was stirred at 25 C for 2 hours. after filtration, the filter cake was rinsed with a small amount of tetrahydrofuran to give a yellow solid, dried.Recrystallization from n-hexane (900 ml) and ethyl acetate (100 ml). 92.8 g of yellow was obtained in a yield of 85.8%.

  • 2
  • [ 175711-83-8 ]
  • [ 725743-41-9 ]
  • 1,4-bis(4-chloro-2-fluorophenyl)-1,4-butanedione [ No CAS ]
YieldReaction ConditionsOperation in experiment
92.7% With diethylamine; zinc(II) chloride; In toluene; tert-butyl alcohol; at 35℃; for 24h;Green chemistry; As shown in Figure 3, Zinc chloride (68.1 g, 2.5 eq) and toluene (180 ml) were added to the reaction flask at room temperature and stirring was started. the temperature control below 35 C, Diethylamine (19.3 g, 2 eq) was added dropwise, tert-butanol (30 ml) was added, and the reaction was stirred for 2 hours, and the temperature was controlled below 35 C. 2-Fluoro-4-chloroacetophenone (34.5 g, 1.0 eq) and 1-(4-chloro-2-fluorophenyl)-2-bromoethanone (60.4 g, 1.2 eq) in toluene (100 mL) The reaction was stirred for 24 hours. The reaction was quenched with 2M aqueous HCl (350 mL).Stir for 2 hours, filter, the solid was rinsed with toluene (100 ml) and dried under vacuum at 45 C. 63.6 g of an off-white solid product was obtained in a yield of 92.7%.
 

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