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Chemical Structure| 216502-06-6 Chemical Structure| 216502-06-6

Structure of 216502-06-6

Chemical Structure| 216502-06-6

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Product Details of [ 216502-06-6 ]

CAS No. :216502-06-6
Formula : C13H11FN2O
M.W : 230.24
SMILES Code : NC1=C(C(NC2=CC=C(C=C2)F)=O)C=CC=C1
MDL No. :MFCD00115471

Safety of [ 216502-06-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Application In Synthesis of [ 216502-06-6 ]

* 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 [ 216502-06-6 ]

[ 216502-06-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1039948-89-4 ]
  • [ 216502-06-6 ]
  • [ 1235479-85-2 ]
YieldReaction ConditionsOperation in experiment
11% With toluene-4-sulfonic acid; sodium hydrogensulfite; In N,N-dimethyl acetamide; at 155℃; for 14.0h; Example 7. Preparation of 3-(4-fluorophenyl)-2-(4-(2-hydroxyethoxy)-3,5- dimethylphenyl)quinazolin-4(3H)-one; [0162] To a solution of 4-fluoroaniline (2.40 ml_, 24.5 mmol) in N, N- dimethylformamide (30 mL) was added isatoic anhydride (4.00 g, 24.5 mmol), and the reaction mixture was heated at 115C for 14 hours. The reaction mixture was cooled to room temperature and diluted with ethyl acetate (100 mL). The organic layer was washed with 1 N NaOH (200 mL), water (100 mL), then brine, and dried over Na2SO4. The solvent was removed under reduced pressure to give crude product, which was purified by column chromatography (silica gel 230-400 mesh; 10% EtOAc/hexane as eluent) to give 2-amino-Lambda/-(4-fluoro-phenyl)-benzamide as white solid. Yield: 2.00 g (35%).[0163] To a mixture of <strong>[1039948-89-4]4-(2-hydroxy-ethoxy)-3,5-dimethyl-benzaldehyde</strong> (0.420 g, 2.17 mmol) and 2-amino-Lambda/-(4-fluoro-phenyl)-benzamide (0.500 g, 2.17 mmol) in Lambda/,Lambda/-dimethylacetamide (5 mL) was added sodium hydrogen sulfite (0.350 g, 3.26 mmol) and p-toluenesulfonic acid (0.21 g, 0.11 mmol). The reaction mixture was heated at 155C for 14 hours. The reaction mixture was cooled to room temperature and diluted with cold water (20 ml_) to produce the precipitate. The yellow solid was filtered, washed with cold water (2 x 20 ml_), methanol, and dried under vacuum to provide crude product, which was purified by column chromatography (silica gel 230-400 mesh; 10% EtOAc/hexane as eluent) to give the title compound as white solid. Yield: 0.10 g (11 %). MP 95-970C. 1H-NMR (400 MHz, CDCI3): delta 8.35 (d, 1 H), 7.81-7.78 (d, 2H), 7.58-7.40 (m, 1 H), 7.20-7.15 (m, 2H), 7.15- 7.01 (m, 4H), 3.98-3.80 (m, 4H), 2.21 (s, 6H), 2.01 (t, 1 H). MS (ES+) m/z: 405.01 (M+1).
 

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