Home Cart Sign in  
Chemical Structure| 79477-87-5 Chemical Structure| 79477-87-5

Structure of 79477-87-5

Chemical Structure| 79477-87-5

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 79477-87-5 ]

CAS No. :79477-87-5
Formula : C8H5FO3
M.W : 168.12
SMILES Code : O=C(O)C(C1=CC=CC(F)=C1)=O
MDL No. :MFCD07698679
InChI Key :ZBVBBDBIFKYALY-UHFFFAOYSA-N
Pubchem ID :13548098

Safety of [ 79477-87-5 ]

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

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   1~35

  • 2
  • [ 79477-87-5 ]
  • [ 1187-42-4 ]
  • [ 75669-49-7 ]
  • 3
  • [ 79477-87-5 ]
  • [ 72111-72-9 ]
  • 4
  • [ 79477-87-5 ]
  • [ 72113-54-3 ]
  • 5
  • [ 79477-87-5 ]
  • [ 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
  • [ 79477-87-5 ]
  • [ 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 ς 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 ]
  • [ 79477-87-5 ]
  • [ 1417412-43-1 ]
  • 9
  • [ 455-36-7 ]
  • [ 79477-87-5 ]
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.
  • 10
  • [ 348613-08-1 ]
  • [ 79477-87-5 ]
  • [ 1422748-17-1 ]
  • 11
  • [ 7305-03-5 ]
  • [ 79477-87-5 ]
  • [ 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]-).
  • 13
  • [ 1370447-65-6 ]
  • [ 79477-87-5 ]
  • [ 1370447-66-7 ]
YieldReaction ConditionsOperation in experiment
453 mg With hydrogenchloride; In ethanol; isopropyl alcohol; at 20℃; for 16h; A solution of 2 mol/L HCl in IPA (0.669 mL) was added to a suspension of the compound (150 mg) prepared in Reference Example P-A6 and the compound (197 mg) prepared in Reference Example P-L4 in EtOH (3.0 mL), followed by stirring at room temperature for 16 hours. The reaction solution was concentrated under reduced pressure to yield the title compound (453 mg, brown solid) MS (ESI pos.) m/z: 372 ([M+H]+).
  • 14
  • [ 79477-87-5 ]
  • [ 75-65-0 ]
  • tert-butyl 2-(3-fluorophenyl)-2-oxoacetate [ No CAS ]
  • 17
  • [ 79477-87-5 ]
  • [ 1536193-10-8 ]
  • 20
  • [ 79477-87-5 ]
  • [ 1596279-11-6 ]
  • 21
  • [ 79477-87-5 ]
  • isopropyl 2-(3-fluorophenyl)-2-hydroxyacetate [ No CAS ]
  • 22
  • [ 79477-87-5 ]
  • [ 1596278-70-4 ]
  • 24
  • [ 61589-14-8 ]
  • [ 79477-87-5 ]
  • (1-benzoylindolin-7-yl)(3-fluorophenyl)methanone [ No CAS ]
  • 25
  • [ 79477-87-5 ]
  • (S)-tert-butyl 3,3-dicyano-2-(3-fluorophenyl)-2-(nitromethyl)propanoate [ No CAS ]
  • (R)-tert-butyl 3,3-dicyano-2-(3-fluorophenyl)-2-(nitromethyl)propanoate [ No CAS ]
  • 26
  • [ 79477-87-5 ]
  • tert-butyl 2-(3-fluorophenyl)-2-oxoacetate [ No CAS ]
  • 27
  • [ 79477-87-5 ]
  • benzhydryl 2-(3-fluorophenyl)-2-oxoacetate [ No CAS ]
  • 28
  • [ 79477-87-5 ]
  • benzhydryl (R)-2-(3-fluorophenyl)-5-oxotetrahydrofuran-2-carboxylate [ No CAS ]
  • 29
  • [ 79477-87-5 ]
  • 1-[(triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one [ No CAS ]
  • 1-(3-fluorophenyl)-3-(triisopropylsilyl)prop-2-yn-1-one [ No CAS ]
  • 30
  • [ 614-00-6 ]
  • [ 79477-87-5 ]
  • N-(2-(3-fluorobenzoyl)phenyl)-N-methylnitrous amide [ No CAS ]
  • 31
  • [ 25563-14-8 ]
  • [ 79477-87-5 ]
  • 5-chloro-3-(3-fluorophenyl)-3-hydroxy-2-methoxyisoindolin-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
88% With ammonium peroxydisulfate; palladium diacetate; In tetrahydrofuran; at 20℃; for 3h;Sealed tube; Green chemistry; General procedure: A solution of benzamides (0.5 mmol), α-oxocarboxylic acids (0.6 mmol), Pd(OAc)2 (10 mol%) and(NH4)2S2O8 (4 mmol) in THF (3 mL) was stirred in a sealed tube under air at room temperature for 3 h.The reaction mixture was diluted with EtOAc and filtered through a pad of Celite. The filtrate waswashed with saturated aqueous Na2CO3 to remove the acid. The organic layer was dried over anhydrousNa2SO4 and filtered, and the solvent was removed under vacuum or in vacuo to provide the crude product.The purification was performed by flash column chromatography on silica gel (eluent: petroleumether/EtOAc = 4/1, v/v) to give 3-hydroxyisoindolin-1-ones.
  • 32
  • N-(2-cyanophenyl)-N-methylmethacrylamide [ No CAS ]
  • [ 79477-87-5 ]
  • 3-(2-(3-fluorophenyl)-2-oxoethyl)-1,3-dimethylquinoline-2,4(1H,3H)-dione [ No CAS ]
  • 33
  • [ 1613-37-2 ]
  • [ 79477-87-5 ]
  • 8-(3-fluorobenzoyl)quinoline 1-oxide [ No CAS ]
  • 34
  • [ 124-38-9 ]
  • [ 451-02-5 ]
  • [ 79477-87-5 ]
YieldReaction ConditionsOperation in experiment
53% With chloro-trimethyl-silane; magnesium; In N,N-dimethyl-formamide; at 20℃; General procedure: A typical procedure is as follows. Magnesium turnings (0.36 g, 15 mmol) for Grignard reagent with no pre-treatment were placed in a 100 mL four-necked flask and were heated to dry. Carbon dioxide was introduced to the flask and a balloon filled with carbon dioxide was attached to the flask. Chlorotrimethylsilane (3.17 mL, 25 mmol) in dry DMF (30 mL) was added to the flask and the reaction mixture was stirred for 30 minutes at room temperature. Ethyl benzoate 1a (0.72 mL, 5 mmol) was added dropwise by means of a syringe and the reaction mixture was stirred at room temperature until the starting material disappeared. Then the reaction mixture was carefully poured into 1 M hydrochloric acid solution (100 mL) and the product was extracted with diethyl ether (40 mL) four times. The combined organic layer was washed with 1 M potassium carbonate solution (40 mL) twice and the product was transferred to the water layer. To the combined water layers, 3 M hydrochloric acid (200 mL) was added and the product was extracted with ether (40 mL) four times. The combined ether layer was washed with water (50 mL) and brine (50 mL), dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure to give the product 2a.
  • 35
  • 2-(3-fluorophenyl)-2-hydroxyacetic acid [ No CAS ]
  • (S)-2-(3-fluorophenyl)-2-hydroxyacetic acid [ No CAS ]
  • [ 79477-87-5 ]
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 79477-87-5 ]

Fluorinated Building Blocks

Chemical Structure| 208259-76-1

A207718 [208259-76-1]

2-(3,5-Difluorophenyl)-2-oxoacetic acid

Similarity: 0.98

Chemical Structure| 2251-76-5

A768355 [2251-76-5]

2-(4-Fluorophenyl)-2-oxoacetic acid

Similarity: 0.98

Chemical Structure| 890097-94-6

A857177 [890097-94-6]

2-(3,4-Difluorophenyl)-2-oxoacetic acid

Similarity: 0.96

Chemical Structure| 890097-96-8

A126755 [890097-96-8]

2-(3-Fluoro-4-methylphenyl)-2-oxoacetic acid

Similarity: 0.94

Chemical Structure| 890097-95-7

A390569 [890097-95-7]

2-Oxo-2-(3,4,5-trifluorophenyl)acetic acid

Similarity: 0.94

Aryls

Chemical Structure| 208259-76-1

A207718 [208259-76-1]

2-(3,5-Difluorophenyl)-2-oxoacetic acid

Similarity: 0.98

Chemical Structure| 2251-76-5

A768355 [2251-76-5]

2-(4-Fluorophenyl)-2-oxoacetic acid

Similarity: 0.98

Chemical Structure| 890097-94-6

A857177 [890097-94-6]

2-(3,4-Difluorophenyl)-2-oxoacetic acid

Similarity: 0.96

Chemical Structure| 890097-96-8

A126755 [890097-96-8]

2-(3-Fluoro-4-methylphenyl)-2-oxoacetic acid

Similarity: 0.94

Chemical Structure| 890097-95-7

A390569 [890097-95-7]

2-Oxo-2-(3,4,5-trifluorophenyl)acetic acid

Similarity: 0.94

Ketones

Chemical Structure| 208259-76-1

A207718 [208259-76-1]

2-(3,5-Difluorophenyl)-2-oxoacetic acid

Similarity: 0.98

Chemical Structure| 2251-76-5

A768355 [2251-76-5]

2-(4-Fluorophenyl)-2-oxoacetic acid

Similarity: 0.98

Chemical Structure| 890097-94-6

A857177 [890097-94-6]

2-(3,4-Difluorophenyl)-2-oxoacetic acid

Similarity: 0.96

Chemical Structure| 890097-96-8

A126755 [890097-96-8]

2-(3-Fluoro-4-methylphenyl)-2-oxoacetic acid

Similarity: 0.94

Chemical Structure| 890097-95-7

A390569 [890097-95-7]

2-Oxo-2-(3,4,5-trifluorophenyl)acetic acid

Similarity: 0.94

Carboxylic Acids

Chemical Structure| 208259-76-1

A207718 [208259-76-1]

2-(3,5-Difluorophenyl)-2-oxoacetic acid

Similarity: 0.98

Chemical Structure| 2251-76-5

A768355 [2251-76-5]

2-(4-Fluorophenyl)-2-oxoacetic acid

Similarity: 0.98

Chemical Structure| 890097-94-6

A857177 [890097-94-6]

2-(3,4-Difluorophenyl)-2-oxoacetic acid

Similarity: 0.96

Chemical Structure| 890097-96-8

A126755 [890097-96-8]

2-(3-Fluoro-4-methylphenyl)-2-oxoacetic acid

Similarity: 0.94

Chemical Structure| 890097-95-7

A390569 [890097-95-7]

2-Oxo-2-(3,4,5-trifluorophenyl)acetic acid

Similarity: 0.94