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[ CAS No. 886498-08-4 ]

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Chemical Structure| 886498-08-4
Chemical Structure| 886498-08-4
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Product Details of [ 886498-08-4 ]

CAS No. :886498-08-4 MDL No. :MFCD04115894
Formula : C8H3F4NO Boiling Point : 189.3°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :205.11 g/mol Pubchem ID :5221095
Synonyms :

Safety of [ 886498-08-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 886498-08-4 ]

  • Downstream synthetic route of [ 886498-08-4 ]

[ 886498-08-4 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 890132-95-3 ]
  • [ 886498-08-4 ]
YieldReaction ConditionsOperation in experiment
83% With triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; at 0 - 30℃; for 1h; c) 2-Fluoro-5-trifluoromethoxy-benzonitrile To a solution of E-2-fluoro-5-trifluoromethoxy-benzaldehyde oxime (47.5 g, 213 mmol) in THF (400 ml) was added triethylamine (65.0 ml, 466 mmol). The mixture was cooled in an ice bath and trifluoroacetic anhydride (32.8 ml, 236 mmol) was added at such a rate that the temperature was kept <30 C. After 1 h at rt all volatiles were evaporated (40 C., 200 mbar). The oily residue was partitioned (ether/water), the organic phase was dried (Na2SO4) and concentrated. Distillation (24 mbar, T=80-83 C.) afforded the title compound (36.1 g, 83%) that was sufficiently pure to be used in the next step. MS: m/e=205 [M]+.
  • 2
  • [ 886498-08-4 ]
  • [ 5188-07-8 ]
  • C9H6F3NOS [ No CAS ]
YieldReaction ConditionsOperation in experiment
In N,N-dimethyl-formamide; at 10 - 35℃; for 3h; Example 23; 5-chloro-2-imino-1-[2-(methylsulfonyl)-5-(trifluoromethoxy)benzyl]-1,2-dihydropyridine-3-carboxamide hydrochloride; (Step 1); A mixture of <strong>[886498-08-4]2-fluoro-5-(trifluoromethoxy)benzonitrile</strong> (6.55 g) and sodium methanethiolate (2.46 g) was stirred in N,N-dimethylformamide (50 ml) at room temperature for 3 hr. The reaction solution was treated with 1N hydrochloric acid, and extracted with ethyl acetate. The extract was washed with saturated brine, and dried over magnesium sulfate. The solvent was evaporated under reduced pressure. A solution of the obtained residue in tetrahydrofuran (20 ml) was added at 0 C. to a suspension of lithium aluminum hydride (1.45 g) in tetrahydrofuran (250 ml). The mixture was stirred at room temperature for 2 hr, and treated with sodium sulfate 10 hydrate. The mixture was further stirred at room temperature for 30 min, and the inorganic substance was filtered off through celite. The filtrate was concentrated under reduced pressure. The residue was dissolved in methanol, and 4N hydrogen chloride-ethyl acetate solution (10 ml) was added. The mixture was crystallized from methanol-ethyl acetate to give 1-[2-(methylsulfanyl)-5-(trifluoromethoxy)phenyl]methanamine hydrochloride (4.3 g). 1H NMR (300 MHz, DMSO-d6) delta ppm 2.55 (3H, s), 4.10 (2H, s), 7.34-7.46 (1H, m), 7.48-7.57 (2H, m), 8.50 (3H, s).
  • 3
  • [ 822-36-6 ]
  • [ 886498-08-4 ]
  • [ 890132-96-4 ]
  • 4
  • [ 886498-08-4 ]
  • 3-amino-5-(trifluoromethoxy)benzo[b]thiophene-2-carboxylic acid [ No CAS ]
  • 5
  • [ 886498-08-4 ]
  • 3-amino-5-(trifluoromethoxy)benzo[b]thiophene-2-carbohydrazide [ No CAS ]
  • 6
  • [ 886498-08-4 ]
  • 5-(3-amino-5-(trifluoromethoxy)benzo[b]thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione [ No CAS ]
  • 7
  • [ 886498-08-4 ]
  • [ 623-51-8 ]
  • ethyl 3-amino-5-(trifluoromethoxy)benzo[b]thiophene-2-carboxylate [ No CAS ]
  • 8
  • [ 886498-08-4 ]
  • 5-{2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-N-{1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl}-2-methylpyridine-3-carboxamide [ No CAS ]
  • 9
  • [ 886498-08-4 ]
  • 2-fluoro-5-(trifluoromethoxy)benzylamine-d2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
100% 2-fluoro-5-(trifluoromethoxy)benzylamine-d2: To a mixture of<strong>[886498-08-4]2-fluoro-5-(trifluoromethoxy)benzonitrile</strong> (374 mg, 1.823 mmol) and sodium borodeuteride (176 mg, 4.19 mmol) in THF (10 mL) at 0 C was added over 45 mm, iodine (463 mg, 1.823 mmol) as a solution in 4 ml THF. The reaction mixture was heatedat reflux for 2 h. After cooling to 0 C, 6 N HC1 (2 ml) was carefully added. This mixture was heated at reflux for 30 mm. After cooling to rt, the mixture was partitioned between EtOAc (40 mL) and 1 N NaOH (40 mL). The organic layer was washed with water (20 mL) and brine (20 mL). After drying over anhydrous sodium sulfate, the organic layer was filtered and concentrated to afford2-fluoro-5-(trifluoromethoxy)benzylamine-d2 (385 mg, 1.823 mmol, 100 % yield)
  • 10
  • [ 886498-08-4 ]
  • 1-(2-fluoro-5-(trifluoromethoxy)phenyl)ethanamine [ No CAS ]
  • 11
  • [ 886498-08-4 ]
  • 1-(2-fluoro-5-(trifluoromethyl)phenyl)ethanamine [ No CAS ]
  • 12
  • [ 886498-08-4 ]
  • (R)-5-{2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-N-{1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl}-2-methoxypyridine-3-carboxamide [ No CAS ]
  • (S)-5-{2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-N-{1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl}-2-methoxypyridine-3-carboxamide [ No CAS ]
  • 13
  • [ 886498-08-4 ]
  • (R)-5-{2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-N-{1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl}-2-(deutero)methoxy-6-methylpyridine-3-carboxamide [ No CAS ]
  • (S)-5-{2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-N-{1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl}-2-(deutero)methoxy-6-methylpyridine-3-carboxamide [ No CAS ]
  • 14
  • [ 886498-08-4 ]
  • 5-{2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-N-[2-fluoro-5-(trifluoromethoxy)phenyl](deutero)methyl}-2-methoxypyridine-3-carboxamide [ No CAS ]
  • 15
  • [ 886498-08-4 ]
  • 5-{2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-N-[2-fluoro-5-(trifluoromethoxy)phenyl](deutero)methyl}-2-(deutero)methoxypyridine-3-carboxamide [ No CAS ]
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