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Chemical Structure| 64310-35-6 Chemical Structure| 64310-35-6

Structure of 64310-35-6

Chemical Structure| 64310-35-6

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Product Details of [ 64310-35-6 ]

CAS No. :64310-35-6
Formula : C9H9N3O
M.W : 175.19
SMILES Code : COC1=CC=C(C2=NNC=N2)C=C1
MDL No. :MFCD18784757

Safety of [ 64310-35-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
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

Application In Synthesis of [ 64310-35-6 ]

* 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 [ 64310-35-6 ]

[ 64310-35-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 103962-05-6 ]
  • [ 64310-35-6 ]
  • 3-(4-methoxyphenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% With copper(l) iodide; 8-quinolinol; caesium carbonate; In water; N,N-dimethyl-formamide; at 150℃; for 6h; 3 -(4-Methoxyphenyl)- IH- 1,2, 4-triazole (C4; 4.47 g, 256 mmol), l-iodo-4- (trifluoromethoxy)benzene (10.3 g, 36 mmol), cesium carbonate (22.4 g, 69 mmol), copper(I) iodide (1.98 g, 10.4 mmol), and 8-hydroxyquinoline (1.49 g, 10.3 mmol) in N,N- dimethylformamide (DMF; 160 mL) and water (16 mL) was heated at 150 C for 6 h. The reaction mixture was cooled to room temperature overnight. The reaction was quenched with water and ammonium hydroxide, and the mixture was extracted with diethyl ether. The emulsion was filtered to remove copper solids, and the mixture was extracted once more with diethyl ether. The combined organic extracts were washed with water, dried over sodium sulfate, filtered, and concentrated. Purification of the resulting concentrate by flash chromatography (0 - 50% ethyl acetate/hexanes) provided the title compound as a white solid (4.58 g, 53%): mp 99.5-100.5 C; NMR (400 MHz, CDCb) d 8.53 (s, 1H), 8.18 - 8.07 (m, 2H), 7.84 - 7.73 (m, 2H), 7.38 (dd, J= 9.0, 0.7 Hz, 2H), 7.08 - 6.96 (m, 2H), 3.88 (s, 3H); 19F NMR (376 MHz, CDCb) d -58.04; EIMS m/z 335.
 

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