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Chemical Structure| 50735-55-2 Chemical Structure| 50735-55-2

Structure of 50735-55-2

Chemical Structure| 50735-55-2

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Product Details of [ 50735-55-2 ]

CAS No. :50735-55-2
Formula : C13H11BrN2O
M.W : 291.14
SMILES Code : O=C(NC1=CC=C(Br)C=C1)C2=CC=CC=C2N
MDL No. :MFCD02268430

Safety of [ 50735-55-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 50735-55-2 ]

* 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 [ 50735-55-2 ]

[ 50735-55-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 50735-55-2 ]
  • [ 1039948-89-4 ]
  • [ 1235479-81-8 ]
YieldReaction ConditionsOperation in experiment
64% With copper dichloride; In ethanol; for 16.0h;Reflux; Inert atmosphere; Example 3. Preparation of 3-(4-bromophenyl)-2-(4-(2-hydroxyethoxy)-3,5- dimethylphenyl)quinazolin-4(3H)-one (K); [0147] 1H-Benzo[c/J[1 ,3]oxazine-2,4-dione (A) (3.26 g, 20.0 mmol) and 4- bromo-aniline (H) (3.23 g, 18.8 mmol) were mixed together as a neat mixture (both solids), and the reaction mixture was stirred at 1300C for 4 hours, and then cooled to room temperature. The crude compound was purified by the Simpliflash system (20% ethyl acetate in hexanes as eluent) to give 2-amino-Lambda/-(4-bromo-phenyl)- benzamide (J) as white solid. Yield: 4.35 g (75%).[0148] To a solution of 2-amino-/V-(4-bromo-phenyl)-benzamide (3.75 g, 12.9 mmol) and <strong>[1039948-89-4]4-(2-hydroxy-ethoxy)-3,5-dimethyl-benzaldehyde</strong> (D) (2.50 g, 12.9 mmol) in anhydrous ethanol (75 ml_) was added anhydrous copper (II) chloride (5.19 g, 38.6 mmol). The reaction mixture was stirred under reflux for 16 hours under nitrogen, then cooled to room temperature. The ethanol was evaporated under reduced pressure. The residue was taken in dichloromethane (300 ml_) and the organic phase was washed with water (200 ml_). The aqueous phase was then extracted with CH2CI2 (2 * 200 ml_). The combined organic phase was washed with brine (200 ml_) and dried over anhydrous Na2SO4. The solvent was evaporated. The crude compound was purified by column chromatography (silica gel 230-400 mesh; 30-50% ethyl acetate in hexanes as eluent) to give the title compound (K) as white solid. Yield: 3.84 g (64%). MP 164-1650C. 1H-NMR (400 MHz, DMSO-d6): delta 8.33 (d, J = 7.80 Hz, 1 H), 7.82-7.80 (m, 2H), 7.55-7.45 (m, 3H), 7.04 (d, J = 8.58 Hz, 2H), 6.98 (S, 2H), 3.94-3.90 (m, 2H), 3.82 (t, J = 4.68 Hz1 2H), 2.17 (s, 6H), 2.13 (t, J = 3.51 Hz, 1 H). MS (ES+) m/z: 465.42 (97%) (M+1), 467.43 (100%) (M+3).
 

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