Home Cart 0 Sign in  

[ CAS No. 868171-67-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 868171-67-9
Chemical Structure| 868171-67-9
Structure of 868171-67-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 868171-67-9 ]

Related Doc. of [ 868171-67-9 ]

Alternatived Products of [ 868171-67-9 ]

Product Details of [ 868171-67-9 ]

CAS No. :868171-67-9 MDL No. :MFCD19321394
Formula : C12H8FNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 233.20 Pubchem ID :-
Synonyms :

Safety of [ 868171-67-9 ]

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

Application In Synthesis of [ 868171-67-9 ]

* 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 [ 868171-67-9 ]

[ 868171-67-9 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 868171-67-9 ]
  • [ 929252-65-3 ]
  • tert-butyl 4-((4-(2-fluoro-4-(1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamido)phenoxy)-6-methoxyquinolin-7-yloxy)methyl)piperidine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20℃; E) tert-Butyl 4-((4-(2-fluoro4-(1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamido)phenoxy)-6-methoxyquinolin-7-yloxy)methyl)piperidine-1-carboxylate To a mixture of 1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (15 mg, 0.06 mmol), HOBt (10 mg) and EDCI.HC1 (20 mg, 0.10 mmol) in DMF (2 mnL) was added a solution of <strong>[929252-65-3]tert-butyl 4-((4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yloxy)methyl)piperidine-1-carboxylate</strong> (35 mg, 0.07 mmol) in DMF (1 mL) at rt, and the reaction mixture was stirred overnight at rt. It was directly purified by preparative HPLC to afford the product (24 mg, 56%) as a white TFA salt solid. 1H NMR (CDC13) delta12.16 (s, 1H), 8.75 (d, 1H, J=7.7 Hz), 8.64 (d, 1H, J=5.5 Hz), 8.05 (d, 1H, J=12.1 Hz), 7.83 (s, 1H), 7.67-7.24 (m, 8H), 6.72 (d, 1H, J=6.1 Hz), 6.65 (t, 1H, J=6.6 Hz), 4.22-4.11 (m, 2H), 4.07 (s, 3H), 3.48 (s, 2H), 2.78 (m, 2H), 2.13 (m, 1H), 1.87 (m, 2H), 1.47 (s, 9H), 1.35 (m, 2H).
  • 2
  • [ 868171-67-9 ]
  • [ 190728-25-7 ]
  • [ 1021179-16-7 ]
YieldReaction ConditionsOperation in experiment
58% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine;dmap; In N,N-dimethyl-formamide; at 20℃; for 48h; To a solution of 1 -(4-fluorophenyl)-2-oxo-1 ^-dihydropyridine-S-carboxylic acid (Intermediate E, 531 mg, 2.2 mmol) and 4-[(6,7-dimethoxyquinolin-4-yl)oxy]aniline (Intermediate A, 450 mg, 1.5 mmol) in DMF (20 ml_) were added 1 -(3- dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (437 mg, 2.3 mmol), 1 - hydroxybenzotriazole (308 mg, 2.3 mmol), Et3N (231 mg, 2.27 mmol) and DMAP (18.5 mg, 0.15 mmol). The reaction mixture was stirred at rt for 48 h, and then ethyl acetate (50 ml_) was added. The mixture was washed with water, dried (Na2SO4), filtered and concentrated under reduced pressure. The residue was triturated with CH2CI2 and filtered to give 275 mg (35%) of the title compound. The filtrate was concentrated under reduced pressure and purified by silica gel flash chromatography to give an additional 180 mg (23 %) of the title compound. Total yield: 455 mg (58%).1H NMR (400 MHz, DMSO-cfe) delta 12.00 (s, 1 H), 8.50 (dd, 1 H), 8.46 (d, 1 H), 8.11 (dd, 1 H), 7.82 (d, 2 H), 7.62-7.59 (m, 2 H), 7.49 (s, 1 H), 7.43-7.39 (m, 2 H), 7.38 (s, 1 H), 7.25 (d, 2H), 6.71 (t, 1 H), 6.47 (d, 1 H), 3.93 (s, 3H), 3.91 (s, 3H); ES- MS m/z 512.0 [M+H]+, LCMS RT (min) 2.61.
  • 3
  • [ 10128-91-3 ]
  • [ 868171-67-9 ]
  • 4
  • [ 150544-04-0 ]
  • [ 868171-67-9 ]
  • [ 1621689-31-3 ]
YieldReaction ConditionsOperation in experiment
81% With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In N,N-dimethyl-formamide; acetonitrile; at 20℃; for 3h; General procedure: Appropriate aminoindolin-2-one (1equiv) was added to a mixture of appropriate 3-amino-3-oxopropanoic acid/2-pyridone acid/4-pyridone acid (1equiv), TBTU (1.5equiv) and TEA (3equiv) in DMF/acetonitrile (1:3, 0.16M). The resulting reaction mixture was stirred at room temperature for 3h. Reaction mixture was then concentrated in vacuo. Title compound was collected as solid by filtration and dried.
  • 5
  • [ 868171-67-9 ]
  • [ 25369-32-8 ]
  • 1-(4-fluorophenyl)-2-oxo-N-(2-oxoindolin-7-yl)-1,2-dihydropyridine-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; In N,N-dimethyl-formamide; acetonitrile; at 20℃; for 3.0h; General procedure: Appropriate aminoindolin-2-one (1equiv) was added to a mixture of appropriate 3-amino-3-oxopropanoic acid/2-pyridone acid/4-pyridone acid (1equiv), TBTU (1.5equiv) and TEA (3equiv) in DMF/acetonitrile (1:3, 0.16M). The resulting reaction mixture was stirred at room temperature for 3h. Reaction mixture was then concentrated in vacuo. Title compound was collected as solid by filtration and dried.
  • 6
  • [ 868171-67-9 ]
  • [ 819057-45-9 ]
  • 1-(4-fluorophenyl)-N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 1.0h; Step 5: 1-(4-Fluorophenyl)-N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide To a mixture of <strong>[819057-45-9]3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline</strong> (from Aldrich, 213.5 mg, 0.90 mmol) and 1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (200 mg, 0.86 mmol) (prepared in Example 9, step 2) in N,N-dimethylformamide (4.7 mL) was added triethylamine (179 muL, 1.29 mmol) followed by N,N,N',N'-tetramethyl-O-(7-azabenzotriazol-1-yl)uronium hexafluorophosphate (391 mg, 1.03 mmol). The resulting mixture, which became a mixture of solids quickly, was stirred at rt for 1 h. The solids were filtered and washed with water. Drying by vacuum suction gave the desired product as a white solid (305 mg, 79%). LCMS calcd for C24H24BF2N2O4 (M+H)+: m/z=453.2. Found: 453.2.
Same Skeleton Products
Historical Records