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Chemical Structure| 85118-01-0 Chemical Structure| 85118-01-0

Structure of 85118-01-0

Chemical Structure| 85118-01-0

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CAS No.: 85118-01-0

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Product Details of [ 85118-01-0 ]

CAS No. :85118-01-0
Formula : C7H5BrF2
M.W : 207.02
SMILES Code : FC1=CC(CBr)=CC=C1F
MDL No. :MFCD00009889
InChI Key :JJIFTOPVKWDHJI-UHFFFAOYSA-N
Pubchem ID :581436

Safety of [ 85118-01-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H227-H314-H335
Precautionary Statements:P261-P280-P305+P351+P338-P310
Class:8
UN#:3265
Packing Group:Ⅱ

Application In Synthesis of [ 85118-01-0 ]

* 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 [ 85118-01-0 ]

[ 85118-01-0 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 16001-93-7 ]
  • [ 85118-01-0 ]
  • [2-(3,4-difluoro-phenyl)-1-(dimethoxy-phosphoryl)-ethyl]-phosphonic acid dimethyl ester [ No CAS ]
  • 2
  • [ 85118-01-0 ]
  • [ 31105-90-5 ]
  • 3
  • [ 5932-27-4 ]
  • [ 85118-01-0 ]
  • ethyl 1-(3,4-difluorobenzyl)-1H-pyrazole-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% With potassium hydroxide; In tetrahydrofuran; at 70℃; for 12h; A mixture of <strong>[5932-27-4]ethyl 1H-pyrazole-3-carboxylate</strong> (1.4 g, 9.66 mmol), 4-(bromomethyl)- 1,2-difluorobenzene (1.0 g, 4.83 mmol) and potassium hydroxide (0.27 g, 4.83 mmol) in tetrahydrofuran (100 mL) was stirred at 70 °C for 12H. After cooling to RT, the mixture was filtered and the filtrate was concentrated to dryness in vacuo. The resulting residue was purified by column chromatography (silica gel, 100-200 mesh, 0 to 100percent) ethyl acetate in petroleum ether) to afford ethyl l -(3,4-difluorobenzyl)-1H-imidazole-4-carboxylate (1.2 g, 93percent yield) as white solid: LCMS (0 to 60percent acetonitrile in water + 0.03percent trifluoroacetic acid over 2 mins) retention timel .25 min, ESI+ found [M+H] = 266.9.
  • 4
  • [ 38116-61-9 ]
  • [ 85118-01-0 ]
  • 1-(3,4-difluorobenzyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
40 mg 1-(3 -difluorobenzyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid (8) To a solution of 2-hydroxy-nicotinic acid 7 (6.53 mmol, 1 g) in DMF anhydrous (5 ml) under N2 current, CsF (19.59 mmol, 2975.3 mg) was added. The reaction mixture was allowed to stir at r.t. for 1 h. After this period, 3,4-difluoro-benzyl bromide (7.83 mmol, 1 ml) was added and the resulting mixture was heated at 50 C for 1 6 h. The solvent was evaporated under reduced pressure and the residue was triturated in H20 and filtered on a pad. This solid was then refluxed for 4h in a solution of NaOH 10% (10 ml_). The cooled solution was acidified with 1 N HCI and the precipitate was collected by filtration and then crushed with Et20 to provide the pure 8 derivative. C14H11 F2NO3 (Yield: 40%) 1H-NMR (DMSO): 2.45 (s, 3H, CH3); 5.42 (s, 2H, CH2); 6.71 (d, 1 H, J=7.6 Hz, Ar); 7.00-7.03 (m, 1 H, Ar); 7.32-7.44 (m, 2H, Ar); 8.33(d, 1 H, J=7.6 Hz, Ar) ppm
  • 5
  • [ 38116-61-9 ]
  • [ 85118-01-0 ]
  • 5-bromo-1-(3,4-difluorobenzyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid [ No CAS ]
  • 6
  • [ 15294-81-2 ]
  • [ 85118-01-0 ]
  • 4,5-dibromo-2-(3,4-difluorobenzyl)-2H-1,2,3-triazole [ No CAS ]
 

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