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[ CAS No. 886762-64-7 ]

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Chemical Structure| 886762-64-7
Chemical Structure| 886762-64-7
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Product Details of [ 886762-64-7 ]

CAS No. :886762-64-7 MDL No. :MFCD06797948
Formula : C8H7FO Boiling Point : 197.4°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :138.14 g/mol Pubchem ID :2783142
Synonyms :

Safety of [ 886762-64-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 886762-64-7 ]

  • Downstream synthetic route of [ 886762-64-7 ]

[ 886762-64-7 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 886762-64-7 ]
  • [ 292638-85-8 ]
  • [ 1210226-34-8 ]
  • 2
  • [ 886762-64-7 ]
  • [ 7269-15-0 ]
  • 9-methyl-10-phenyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione [ No CAS ]
YieldReaction ConditionsOperation in experiment
38% In N,N-dimethyl-formamide; for 4h;Reflux; General procedure: A mixture of a 6-(arylamino)pyrimidine-2,4(1H,3H)-dione 3a (1 equiv) and a 2-halo- or 2-tosyl-benzaldehyde 4 (X = F, Cl, or OTs; 1.2 equiv) in DMF (10 mL/mmol 3a) was heated under reflux for 4 h. After cooling, the solution was evaporated under reduced pressure and the residue was purified by flash chromatography (5:95 MeOH-CH2Cl2) to afford the product. 9-Methyl-10-phenyl-2H,3H,4H,10H-pyrimido[4,5-b]quinol-ine-2,4-dione (83)Preparedusing general method 5.7 from 3a (R5-7= H) and 4 (R1-3 =H, R4 = Me, X = F). Yellow solid (37.8 mg,38%). Mp: 337-338 oC (dec); IR (KBr): 3,441 (NH), 1,703 (C=O), 1,665(C=O), 1,619 (C=C) cm-1; 1H-NMR: delta 1.59 (3H, s, Me), 7.39-7.47 (3H, m, C8-H & Ph 2-H), 7.53-7.61(4H, m, C7-H & Ph-H), 8.10 (1H, d, J = 7.9 Hz, C6-H), 9.07 (1H, s,C5-H), 11.07 (1H, s, N3-H); 13C-NMR: delta 22.34 (CH3), 115.23 (Cq), 123.04 (Cq), 125.08 (CH),127.13 (Cq), 129.24 (CH), 129.53 (CH), 130.64 (CH), 131.31 (CH), 140.55 (CH),140.77 (Cq), 140.95 (Cq), 144.01 (CH), 156.84 (Cq), 160.62 (Cq), 162.35 (Cq); anal.RP-HPLC: tR 1.28 min(97.2%, A), 14.40 min (97.9%, B); HRMS (ESI+): calcd for C18H14N3O2[M+H]+ 304.1086, found 304.1097.
  • 3
  • [ 299442-93-6 ]
  • [ 886762-64-7 ]
  • 10-(2-fluorophenyl)-9-methyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% In N,N-dimethyl-formamide; for 4h;Reflux; General procedure: A mixture of a 6-(arylamino)pyrimidine-2,4(1H,3H)-dione 3a (1 equiv) and a 2-halo- or 2-tosyl-benzaldehyde 4 (X = F, Cl, or OTs; 1.2 equiv) in DMF (10 mL/mmol 3a) was heated under reflux for 4 h. After cooling, the solution was evaporated under reduced pressure and the residue was purified by flash chromatography (5:95 MeOH-CH2Cl2) to afford the product. 10-(2-Fluorophenyl)-9-methyl-2H,3H,4H,10H-pyrimido[4,5-b]quinol-ine-2,4-dione (90)Preparedusing general method 5.7 from 3a (R5= F, R6,7 = H) and 4(R1-3 = H, R4 = Me, X = F). Yellowsolid (53.1 mg, 53%). Mp: 287-290 oC; IR (KBr): 3,442 (NH), 1,712(C=O), 1,657 (C=O), 1,619 (C=C) cm-1; 1H-NMR: delta 1.68 (3H, s, Me), 7.36-7.54 (4H, m,C8-H & Ph-H), 7.62-7.70 (2H, m, C7-H & Ph-H), 8.13 (1H, d, J = 7.4Hz, C6-H), 9.10 (1H, s, C5-H), 11.16 (1H, s, N3-H); 13C-NMR: delta 21.37 (CH3), 115.11 (Cq),116.63 (CH, d, J = 19.5 6Hz), 123.03 (Cq), 125.40 (Cq), 125.50 (CH, d, J= 3.19 Hz), 126.28 (Cq), 128.52 (Cq, d, J = 13.26 Hz) 131.63 (CH),131.84 (CH), 132.38 (CH, d, J = 8.08 Hz), 140.35 (Cq), 140.74 (CH),144.51 (Cq), 156.81 (Cq), 158.84 (Cq, d, J = 249.14 Hz), 160.25 (Cq),162.16 (Cq); anal. RP-HPLC: tR1.40 min (97.4%, A), 15.64 min (96.8% B); HRMS (ESI+): calcd for C18H13FN3O2[M+H]+ 322.0992, found 322.0959.
  • 4
  • [ 886762-64-7 ]
  • [ 21333-02-8 ]
  • 10-(4-chlorophenyl)-9-methyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione [ No CAS ]
YieldReaction ConditionsOperation in experiment
26% In N,N-dimethyl-formamide; for 4h;Reflux; General procedure: A mixture of a 6-(arylamino)pyrimidine-2,4(1H,3H)-dione 3a (1 equiv) and a 2-halo- or 2-tosyl-benzaldehyde 4 (X = F, Cl, or OTs; 1.2 equiv) in DMF (10 mL/mmol 3a) was heated under reflux for 4 h. After cooling, the solution was evaporated under reduced pressure and the residue was purified by flash chromatography (5:95 MeOH-CH2Cl2) to afford the product. 10-(4-Chlorophenyl)-9-methyl-2H,3H,4H,10H-pyrimido[4,5-b]quinol-ine-2,4-dione (86)Preparedusing general method 5.7 from 3a (R5,6= H, R7 = Cl) and 4(R1-3 = H, R4 = Me, X = F). Yellowsolid (26.4 mg, 26%). Mp: > 350 oC; IR (KBr): 3,428 (NH), 1,715(C=O), 1,656 (C=O), 1,617 (C=C) cm-1; 1H-NMR: delta 1.67 (3H, s, Me), 7.42 (1H, t, J =7.6 Hz, C7-H), 7.51 (2H, d, AA?BB? system, J = 8.6 Hz, Ph 2-H),7.59-7.66 (3H, m, C8-H & Ph 3-H), 8.11 (1H, d, J = 7.6 Hz, C6-H),9.07 (1H, s, C5-H), 11.09 (1H, s, N3-H); 13C-NMR: delta 22.81 (CH3), 115.25 (Cq),123.04 (Cq), 125.18 (CH), 126.82 (Cq), 129.29 (CH), 131.38 (CH), 132.52 (CH),134.11 (Cq), 139.81 (Cq), 140.56 (Cq), 140.60 (CH), 144.15 (CH), 156.75 (Cq),160.68 (Cq), 162.26 (Cq); anal. RP-HPLC: tR2.12 min (100%, A), 2.70 min (98.4%, B); HRMS (ESI+): calcd for C18H13ClN3O2[M+H]+ 338.0697, found 338.0664.
  • 5
  • [ 141-84-4 ]
  • [ 886762-64-7 ]
  • 5-(2-fluoro-3-methylbenzylidene)-2-thioxothiazolidin-4-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
89% With sodium hydroxide; In ethanol;Reflux; General procedure: The 2-thioxo-4-thiazolidinone (1mmol), benzaldehydes (1 mmol) and NaOH (1.0 mmol) were added to ethanol withtotal volume of 15 mL. The reaction mixture was heated to reflux and stirredfor 2-24 h. After cooling to room temperature, the mixture was concentrated under reduced pressure, neutralized to pH 7.0 with dilute hydrochloric, and then extracted with ethyl acetate (3×100 mL). The combined organic extracts were washed with brine, dried over anhydrous Na2SO4, and concentrated. The resulting residue was recrystallization from ethanol.
  • 6
  • [ 886762-64-7 ]
  • 7-methylbenzo[b]thiophene-2-carboxylic acid [ No CAS ]
  • 7
  • [ 886762-64-7 ]
  • [ 2365-48-2 ]
  • [ 3751-50-6 ]
YieldReaction ConditionsOperation in experiment
11% With potassium carbonate; In N,N-dimethyl-formamide; at 25℃; for 12h; To a mixture of <strong>[886762-64-7]2-fluoro-3-methylbenzaldehyde</strong> ( 1.0 g, 7.2 mmol) in N,N- dimethylformamide (10 mL) was added methyl 2-mercaptoacetate (1.5 g, 14.5 mmol) and potassium carbonate (2.0 g, 14.5 mmol). The mixture was stirred at 25 C for 12 hours. On completion, the mixture was poured into water and extracted with ethyl acetate (3 chi 20 mL). The combined organic layers were dried over anhydrous sodium sulfate, concentrated in vacuo and purified by silica gel chromatography [petroleum ether: ethyl acetate = 10: 1] to give compound B-222 (180 mg, 11% yield) as a white solid. LCMS (B): tR=0.872 min., (ES+) m/z (M+H)+ =207.1.
  • 8
  • [ 886762-64-7 ]
  • [ 29364-29-2 ]
  • 2-(tert-butylthio)-3-methylbenzaldehyde [ No CAS ]
  • 9
  • [ 886762-64-7 ]
  • 8-methyl-2-(p-tolyl)thiochroman-4-one [ No CAS ]
  • 10
  • [ 886762-64-7 ]
  • [ 623-47-2 ]
  • C13H13FO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: To an ice-cooled solution of diisopropylamine (2.17 mL, 15.5 mmol) in THF (20 mL) was carefully added n-Butyllithium (9.68 ml, 15.5 mmol). The reaction was stirred for 0.5 h at which time a solution of ethyl propiolate (1.52 g, 15.5 mmol) in THF (70 mL) cooled to -78 C was added to the solution of LDA via cannula. After stirring for 0.5 h, a solution of 2,4-difluorobenzaldehyde (13c, 2.00 g, 14.1 mmol) in THF (10 mL) was added. The reaction mixture was stirred at -78 C for 0.5 h at which time the cooling bath was removed. The mixture was stirred for an additional 1 h, quenched with sat. aq. NH4Cl, and extracted with EtOAc (2×). The combined organics were washed with brine, dried over MgSO4, filtered, and concentrated. Purification by silica gel chromatography (0% EtOAc in hexanes gradient to 60% EtOAc in hexanes) gave ethyl 4-(2,4-difluorophenyl)-4-hydroxybut-2-ynoate (2.78 g of approx.. 85 wt.% purity material, 9.84 mmol, 70% yield). 1H NMR (400 MHz, CDCl3): delta 7.61 (td, J = 8.5, 6.2 Hz, 1H), 6.93 (m, 1H), 6.85 (ddd, J = 10.5, 8.5, 2.5 Hz, 1H), 5.80 (d, J = 6.1 Hz, 1H), 4.26 (q, J = 7.2 Hz, 2H), 2.44 (d, J = 0.5 Hz, 1H), 1.32 (t, J = 7.2 Hz, 3H).
  • 11
  • [ 886762-64-7 ]
  • (E)-ethyl 4-(2-fluoro-3-methylphenyl)-4-oxobut-2-enoate [ No CAS ]
  • 12
  • [ 886762-64-7 ]
  • 10-methyl-2,3,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline-4,6-dione [ No CAS ]
  • 13
  • [ 886762-64-7 ]
  • 7-fluoro-8-methylphenanthridine [ No CAS ]
  • 14
  • [ 886762-64-7 ]
  • [ 151412-12-3 ]
  • 15
  • [ 886762-64-7 ]
  • [ 307975-03-7 ]
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