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Chemical Structure| 104996-63-6 Chemical Structure| 104996-63-6

Structure of 104996-63-6

Chemical Structure| 104996-63-6

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Product Details of [ 104996-63-6 ]

CAS No. :104996-63-6
Formula : C12H12N2O2
M.W : 216.24
SMILES Code : O=C(C1=NC=CN1C2=CC=CC=C2)OCC

Safety of [ 104996-63-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 104996-63-6 ]

* 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 [ 104996-63-6 ]

[ 104996-63-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 33543-78-1 ]
  • [ 98-80-6 ]
  • [ 104996-63-6 ]
YieldReaction ConditionsOperation in experiment
38.9% With pyridine; copper diacetate; In 1,2-dichloro-ethane; at 60℃; for 16h;Molecular sieve; [1122] to a mixture of <strong>[33543-78-1]ethyl 1H-imidazole-2-carboxylate</strong> (5 g, 35.7 mmol) and phenylboronic acid (8.7 g, 71.4 mmol) in dce (150 ml) was added Cu(OAc)2 (7.13 g, 39.25 mmol), pyridine (5.64 g, 71.36 mmol, 5.76 ml), 4a° ms (3 g). The mixture was stirred at 60 °C for 16 hours under 02. The reaction mixture was filtered and the filtrate was concentrated. The crude product was purified by silica gel chromatography eluted with petroleum ether: ethyl acetate = 10: 1, 4: 1 to give compound 221a (3 g, 13.9 mmol, yield: 38.9percent) as a yellow solid. Compound 221a: 1H NMR (400mhz, CDCl3 delta 7.43- 7.39 (m, 3h), 7.27 - 7.23 (m, 2h), 7.22 - 7.19 (m, 1h), 7.11 (d, / = 1.0 hz, 1h), 4.22 (q, = 7.2 hz, 2h), 1.24 (t, j = 7.2 hz, 3h).
 

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