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Chemical Structure| 200799-19-5 Chemical Structure| 200799-19-5

Structure of 200799-19-5

Chemical Structure| 200799-19-5

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Product Details of [ 200799-19-5 ]

CAS No. :200799-19-5
Formula : C9H10BrF
M.W : 217.08
SMILES Code : CC1=C(CBr)C(C)=CC(F)=C1
MDL No. :MFCD03701057
InChI Key :HYFDMAKFLLWGOK-UHFFFAOYSA-N
Pubchem ID :22672641

Safety of [ 200799-19-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P210-P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 200799-19-5 ]

* 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 [ 200799-19-5 ]

[ 200799-19-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 461-97-2 ]
  • [ 200799-19-5 ]
YieldReaction ConditionsOperation in experiment
With hydrogen bromide; paraformaldehyde; In water; acetic acid; Petroleum ether; Example 2.1 Synthesis of 2,6-dimethyl-4-fluoro-benzylbromide A mixture of <strong>[461-97-2]3,5-dimethyl-fluorobenzene</strong> (5 g, 0.04 mol), paraformaldehyde (15 g), hydrobromic acid (70 ml) (30percent in acetic acid) and acetic acid (25 ml) was stirred at ambient temperature for 4.5 h. To the mixture were water and petroleum ether added and the organic layer was separated dried over anhydrous sodium sulfate and evaporated carefully under reduced pressure. The residue was purified by column chromatography on silica gel with petroleum ether as eluent to give the title product. (3.7 g, 43percent) (1H-NMR, 300 MHz, CDCl3): 2.5 (s, 6H), 4.55 (s, 2H), 6.75 (d, 2H).
With hydrogen bromide; paraformaldehyde; In water; acetic acid; Petroleum ether; Example 2.1 Synthesis of 2,6-dimethyl-4-fluorobenzylbromide A mixture of <strong>[461-97-2]3,5-dimethyl-fluorobenzene</strong> (5 g, 0.04 mol), paraformaldehyde (15 g), hydrobromic acid (70 ml) (30percent in acetic acid) and acetic acid (25 ml) was stirred at ambient temperature for 4.5 h. To the mixture were water and petroleum ether added and the organic layer was separated dried over anhydrous sodium sulfate and evaporated carefully under reduced pressure. The residue was purified by column chromatography on silica gel with petroleum ether as eluent to give the desired product. (3.7 g, 43percent) 1H-NMR (300 MHz, CDCl3): delta2.5 (s, 6H), 4.55 (s, 2H), 6.75 (d, 2H)
With hydrogen bromide; paraformaldehyde; In water; acetic acid; Petroleum ether; Example 2.1 Synthesis of 2,6-dimethyl-4-fluorobenzylbromide A mixture of <strong>[461-97-2]3,5-dimethyl-fluorobenzene</strong> (5 g, 0.04 mol), paraformaldehyde (15 g), hydrobromic acid (70 ml) (30percent in acetic acid) and acetic acid (25 ml) was stirred at ambient temperature for 4.5 h. To the mixture, water and petroleum ether were added and the organic layer was separated dried over anhydrous sodium sulfate and evaporated carefully under reduced pressure. The residue was purified by column chromatography on silica gel with petroleum ether as eluent to give the desired product. (3.7 g, 43percent). 1H-NMR (300 MHz, CDCl3): delta2.5 (s, 6H), 4.55 (s, 2H), 6.75 (d, 2H)
  • 2
  • [ 50-00-0 ]
  • [ 461-97-2 ]
  • [ 200799-19-5 ]
YieldReaction ConditionsOperation in experiment
34% With hydrogen bromide; In acetic acid; at 20℃; for 4h; A mixture of Scheme 60 compound 1 (5.0 g, 40.32 mmol), paraformaldehyde (15.0 g) and HBr (33percent in acetic acid, 35 mL) in acetic acid (25 mL) was stirred at RT for 4 h. After TLC showed the starting material was completely consumed, the reaction mixture was diluted with water (30 mL) and extracted with petroleum ether (2 x 40 mL) then dried over Na2S04, filtered and concentrated under reduced pressure to give a residue which was purified by flash chromatography on silica gel (eluting with petroleum ether/EtOAc 100/0 gradually increasing to 90/10) to give Scheme 60 compound 2 (3.0 g, 34percent) as an off-white solid. MS [ESI, MH+] = 217.99.
30% With hydrogen bromide; acetic acid; at 20℃; for 5h; 1-Fluoro-3,5-dimethylbenzene (2.0 g, 16.1 mmol) Was added p-formaldehyde (7.5 g, 250 mmol), Hydrogen bromide (33 wtpercent in acetic acid (35 ml) and acetic acid (12 ml, 210 mmol) were successively added at room temperature, followed by stirring for 5 hours. The reaction mixture was diluted with water After completion of the reaction, the reaction mixture was extracted with diethyl ether, and the organic layer was dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure The residue obtained by concentration was purified by column chromatography (hexane 100percent) to give the title compound (1.0 g, yield: 30percent, yellow Solid).
 

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