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[ CAS No. 79477-87-5 ] {[proInfo.proName]}

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Chemical Structure| 79477-87-5
Chemical Structure| 79477-87-5
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Product Details of [ 79477-87-5 ]

CAS No. :79477-87-5 MDL No. :MFCD07698679
Formula : C8H5FO3 Boiling Point : -
Linear Structure Formula :- InChI Key :ZBVBBDBIFKYALY-UHFFFAOYSA-N
M.W : 168.12 Pubchem ID :13548098
Synonyms :

Safety of [ 79477-87-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 79477-87-5 ]

* 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 [ 79477-87-5 ]

[ 79477-87-5 ] Synthesis Path-Downstream   1~12

  • 1
  • 2-(3-fluorophenyl)-2-hydroxyacetic acid [ No CAS ]
  • [ 79477-87-5 ]
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  • [ 1187-42-4 ]
  • [ 75669-49-7 ]
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  • [ 72111-72-9 ]
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  • [ 72113-54-3 ]
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  • [ 72113-53-2 ]
  • 6
  • [ 99556-60-2 ]
  • [ 79477-87-5 ]
  • 3,4-bis(methylamino)-6-(3-fluorophenyl)-4H-1,2,4-triazin-5-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In ethanol; (c) 3.8 g (0.02 mole) of 3-fluorophenylglyoxylic acid in 10 ml of ethanol are slowly added dropwise to a solution of 5.4 g (0.022 mole) of 1-amino-2-methyl-3-methylaminoguanidine hydroiodide in 55 ml of 2N hydrochloride acid. The temperature rises from 20 to 30 C. during this addition and a pale yellow precipitate forms. This mixture is stirred for 2 hours to a temperature in the range from 60 to 70 C., whereupon a clear yellow orange solution forms. After cooling, this solution is neutralised with an aqueous solution of sodium hydroxide. The precipitate is then isolated, washed with water and dried at 70 C., affording 4.3 g (76% of theory) of 3,4-bis(methylamino)-6-(3-fluorophenyl)-4H-1,2,4-triazin-5-one with a melting point of 173-174 C.
  • 7
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  • [ 455-38-9 ]
YieldReaction ConditionsOperation in experiment
With dihydrogen peroxide; N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid;pH 7.4;Kinetics; A series of compounds were synthesized and kinetically analyzed (Table 1). The measured rate constants correlate well with the Hammett ? parameters giving a p value of 3.80 (Figure 4). Many of the compounds display faster reactivity with Η202 than BFA.
  • 8
  • [ 104354-39-4 ]
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  • [ 1417412-43-1 ]
  • 9
  • [ 455-36-7 ]
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YieldReaction ConditionsOperation in experiment
60% With pyridine; selenium(IV) dioxide; at 90 - 110℃; for 5h; General procedure: The substituted phenylglyoxylic acid were prepared from oxidation of corresponding acetophenone with SeO2: acetophenone (5 mmol), SeO2 (6 mmol), 20 mL of pyridine were added in a 50 mL round-bottom flask. The reaction was carried out at 110 C for 1 hour, then temperature was lowered to 90 C and the reaction was continued stirring at this temperature for 4 hours. The desired products were isolated by silica-gel columnchromatography in excellent yield (40%-79%).
With selenium(IV) dioxide; In pyridine; at 110℃; for 18h;Sealed tube; General procedure: A flame-dried pressure tube was charged with the specified acetophenone (4.0 mmol,1.0 equiv.) and selenium dioxide (0.89 g, 8.0 mmol, 2.0 equiv.). Dry pyridine (5 mL)was added, the tube was sealed, and the reaction mixture was heated at 110 C for 18h. Afterwards, the reaction was cooled to room temperature and filtered. The filtratewas acidified with 1 M HCl solution and extracted three times with EtOAc.Subsequently, the combined organic layers were extracted three times with 1 M NaOHsolution. The combined aqueous layers were acidified with conc. HCl and extractedthree times with EtOAc. The combined organic layers were dried over Na2SO4 andconcentrated in vacuo. Purification by column chromatography yielded the products2b-2l. The characteriza-tion results are consistent with the references.
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  • [ 348613-08-1 ]
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  • [ 1422748-17-1 ]
  • 11
  • [ 7305-03-5 ]
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  • [ 1452841-74-5 ]
YieldReaction ConditionsOperation in experiment
90% With hydrogenchloride; sodium dichromate; In water; at 95℃; for 6h; General procedure: The specific synthesis method is: Add 1-(2-chlorobenzene) ethyl-1-one (0.15g, 1.0mmol) and 50mL trifluorotoluene to the flask,Stir to dissolve 1-(2-chlorobenzene) ethyl-1-one in trifluorotoluene, then add 2N HCl (0.5mL),Sodium dichromate (0.30g, 2.0mmol) was then added under acidic conditions, heated to 95C and reacted at this temperature under reflux for 6h.After the reaction, the trifluorotoluene in the system was removed, and sodium hydroxide was added to the aqueous phase to adjust the aqueous phase to pH 9 to remove impurities,Then add hydrochloric acid to the water phase to adjust the pH of the water phase to 3 and extract,Petroleum ether was recrystallized to obtain the product 2-(2-chlorobenzene)-2-glyoxylic acid (0.17g) in a 90% yield.
With pyridine; selenium(IV) oxide; at 100℃; for 4h; General procedure: A pyridine solution (27 mL) containing 1-(3-methoxyphenyl)ethanone (8.00 g) and selenium dioxide (8.87 g) was stirred at an outside temperature of 100 C. for 4 hours. After cooling, the reaction solution was filtered through Celite (registered trademark). The filtrate was diluted with EtOAc, followed by washing with an aqueous 1 mol/L HCl solution and brine and drying with Na2SO4. The solvent was distilled off under reduced pressure to yield the title compound (10.6 g, gray solid). MS (ESI neg.) m/z: 179 ([M-H]-).
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