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[ CAS No. 495404-90-5 ] {[proInfo.proName]}

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Chemical Structure| 495404-90-5
Chemical Structure| 495404-90-5
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Product Details of [ 495404-90-5 ]

CAS No. :495404-90-5 MDL No. :MFCD06656546
Formula : C11H12FNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :RYBHUGMTHMMHKH-UHFFFAOYSA-N
M.W :209.22 Pubchem ID :6486949
Synonyms :

Safety of [ 495404-90-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 495404-90-5 ]

* 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 [ 495404-90-5 ]

[ 495404-90-5 ] Synthesis Path-Downstream   1~14

  • 3
  • [ 369-25-5 ]
  • [ 495404-90-5 ]
  • 6
  • [ 495404-90-5 ]
  • <i>N</i>-[3-(3-chloro-5-fluoro-4-morpholin-4-yl-phenyl)-4,5-dihydro-isoxazol-5-ylmethyl]-acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 69 percent / NH2OH*HCl; aq. NaOH / ethanol / 3 h 2: 100 percent / NCS / dimethylformamide / 4 h / 0 - 50 °C 3: 36 percent / Et3N / CH2Cl2 / 0 - 20 °C
  • 8
  • [ 100074-59-7 ]
  • [ 495404-90-5 ]
  • [ 1421237-07-1 ]
YieldReaction ConditionsOperation in experiment
65.3% With potassium carbonate In methanol at 20℃; Preparation of 5-(hydroxyl(phenyl)methyl)-4-methoxy-3-phenylfuran-2(5H)-one (5). General procedure: To a stirred solution of 4 (3.80 g, 0.02 mol) in methanol (25 ml) was added potassium carbonate (3.86 g, 0.028 mol) and benzaldehyde (2.54 g, 0.024 mol). The mixture was stirred at room temperature. After the reaction was complete (monitored by TLC), the solvent was removed under reduced pressure. H2O (15 ml) was added and its pH was adjusted to 3 by addition of diluted hydrochloric acid. The reaction mixture was extracted with EtOAc (3 × 10 ml) and the combined organic extracts dried (Na2SO4), filtered and the solvent removed in vacuo. The residue obtained was purified by silica gel column chromatography with petroleum ether: EtOAc (2:1) as an eluent to give 5 (4.47 g, 75.5%) as a white solid
  • 9
  • [ 100074-56-4 ]
  • [ 495404-90-5 ]
  • [ 1421237-09-3 ]
YieldReaction ConditionsOperation in experiment
59.4% With potassium carbonate In methanol at 20℃; Preparation of 5-(hydroxyl(phenyl)methyl)-4-methoxy-3-phenylfuran-2(5H)-one (5). General procedure: To a stirred solution of 4 (3.80 g, 0.02 mol) in methanol (25 ml) was added potassium carbonate (3.86 g, 0.028 mol) and benzaldehyde (2.54 g, 0.024 mol). The mixture was stirred at room temperature. After the reaction was complete (monitored by TLC), the solvent was removed under reduced pressure. H2O (15 ml) was added and its pH was adjusted to 3 by addition of diluted hydrochloric acid. The reaction mixture was extracted with EtOAc (3 × 10 ml) and the combined organic extracts dried (Na2SO4), filtered and the solvent removed in vacuo. The residue obtained was purified by silica gel column chromatography with petroleum ether: EtOAc (2:1) as an eluent to give 5 (4.47 g, 75.5%) as a white solid
  • 10
  • [ 100074-62-2 ]
  • [ 495404-90-5 ]
  • [ 1421237-12-8 ]
YieldReaction ConditionsOperation in experiment
76.8% With potassium carbonate In methanol at 20℃; Preparation of 5-(hydroxyl(phenyl)methyl)-4-methoxy-3-phenylfuran-2(5H)-one (5). General procedure: To a stirred solution of 4 (3.80 g, 0.02 mol) in methanol (25 ml) was added potassium carbonate (3.86 g, 0.028 mol) and benzaldehyde (2.54 g, 0.024 mol). The mixture was stirred at room temperature. After the reaction was complete (monitored by TLC), the solvent was removed under reduced pressure. H2O (15 ml) was added and its pH was adjusted to 3 by addition of diluted hydrochloric acid. The reaction mixture was extracted with EtOAc (3 × 10 ml) and the combined organic extracts dried (Na2SO4), filtered and the solvent removed in vacuo. The residue obtained was purified by silica gel column chromatography with petroleum ether: EtOAc (2:1) as an eluent to give 5 (4.47 g, 75.5%) as a white solid
  • 11
  • [ 100074-66-6 ]
  • [ 495404-90-5 ]
  • [ 1421237-15-1 ]
YieldReaction ConditionsOperation in experiment
61.8% With potassium carbonate In methanol at 20℃; Preparation of 5-(hydroxyl(phenyl)methyl)-4-methoxy-3-phenylfuran-2(5H)-one (5). General procedure: To a stirred solution of 4 (3.80 g, 0.02 mol) in methanol (25 ml) was added potassium carbonate (3.86 g, 0.028 mol) and benzaldehyde (2.54 g, 0.024 mol). The mixture was stirred at room temperature. After the reaction was complete (monitored by TLC), the solvent was removed under reduced pressure. H2O (15 ml) was added and its pH was adjusted to 3 by addition of diluted hydrochloric acid. The reaction mixture was extracted with EtOAc (3 × 10 ml) and the combined organic extracts dried (Na2SO4), filtered and the solvent removed in vacuo. The residue obtained was purified by silica gel column chromatography with petroleum ether: EtOAc (2:1) as an eluent to give 5 (4.47 g, 75.5%) as a white solid
  • 12
  • [ 100074-58-6 ]
  • [ 495404-90-5 ]
  • [ 1421237-18-4 ]
YieldReaction ConditionsOperation in experiment
59.7% With potassium carbonate In methanol at 20℃; Preparation of 5-(hydroxyl(phenyl)methyl)-4-methoxy-3-phenylfuran-2(5H)-one (5). General procedure: To a stirred solution of 4 (3.80 g, 0.02 mol) in methanol (25 ml) was added potassium carbonate (3.86 g, 0.028 mol) and benzaldehyde (2.54 g, 0.024 mol). The mixture was stirred at room temperature. After the reaction was complete (monitored by TLC), the solvent was removed under reduced pressure. H2O (15 ml) was added and its pH was adjusted to 3 by addition of diluted hydrochloric acid. The reaction mixture was extracted with EtOAc (3 × 10 ml) and the combined organic extracts dried (Na2SO4), filtered and the solvent removed in vacuo. The residue obtained was purified by silica gel column chromatography with petroleum ether: EtOAc (2:1) as an eluent to give 5 (4.47 g, 75.5%) as a white solid
  • 13
  • [ 54798-88-8 ]
  • [ 495404-90-5 ]
  • [ 1421237-20-8 ]
YieldReaction ConditionsOperation in experiment
60.5% With potassium carbonate In methanol at 20℃; Preparation of 5-(hydroxyl(phenyl)methyl)-4-methoxy-3-phenylfuran-2(5H)-one (5). General procedure: To a stirred solution of 4 (3.80 g, 0.02 mol) in methanol (25 ml) was added potassium carbonate (3.86 g, 0.028 mol) and benzaldehyde (2.54 g, 0.024 mol). The mixture was stirred at room temperature. After the reaction was complete (monitored by TLC), the solvent was removed under reduced pressure. H2O (15 ml) was added and its pH was adjusted to 3 by addition of diluted hydrochloric acid. The reaction mixture was extracted with EtOAc (3 × 10 ml) and the combined organic extracts dried (Na2SO4), filtered and the solvent removed in vacuo. The residue obtained was purified by silica gel column chromatography with petroleum ether: EtOAc (2:1) as an eluent to give 5 (4.47 g, 75.5%) as a white solid
  • 14
  • [ 99-91-2 ]
  • [ 495404-90-5 ]
  • (E)-3-(4-chlorophenyl)-1-(3-fluoro-4-morpholinophenyl)prop-2-en-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
71% With potassium hydroxide In ethanol at 20℃; for 8h; Preparation of compounds III-1-III-9; general procedure General procedure: To a solution of an aromatic ketone (3 mmol) in EtOH (15 mL), anaromatic aldehyde (3 mmol) and KOH (3 mmol) were added and the reaction mixture was stirred for 8 h at room temperature. On completion, the reaction mixture was concentrated under vacuum, the residue was dissolved in EtOAc (30 mL) and washed with water, then brine, dried over anhydrous Na2SO4 and concentrated under vacuum to afford the target compounds, which were purified by column chromatography on silica gel (hexane/EtOAc = 7/1). (E) -3- (4-chlorophenyl) -1- (3-fluoro-4-morpholinophenyl)prop-2-en-1-one (III-1): Yellow solid; m.p. 118-119 °C; yield 71%; 1H NMR(400 Hz, CDCl3): δ 7.93-7.85 (m, 2H), 7.66 (d, J = 15.5 Hz, 1H),7.45-7.37 (m, 2H), 7.30 (s, 1H), 7.27 (dd, J = 6.1, 3.0 Hz, 2H), 6.85 (t,J = 8.7 Hz, 1H), 3.91-3.71 (m, 4H), 3.23-3.03 (m, 4H); 13C NMR (100Hz, CDCl3): δ 188.9, 156.4, 153.9, 144.1, 142.0, 139.2, 136.6, 129.8,128.9, 126.2, 120.1, 118.3, 115.4, 66.8, 50.4; HRMS (ESI) calcd forC19H17ClFNNaO2 [M + Na]+: 368.0834; found: 368.0830.
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