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Chemical Structure| 1019331-16-8 Chemical Structure| 1019331-16-8

Structure of 1019331-16-8

Chemical Structure| 1019331-16-8

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Product Details of [ 1019331-16-8 ]

CAS No. :1019331-16-8
Formula : C7H6N2O
M.W : 134.13
SMILES Code : COC1=NN=C(C#C)C=C1

Safety of [ 1019331-16-8 ]

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 [ 1019331-16-8 ]

* 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 [ 1019331-16-8 ]

[ 1019331-16-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1019331-16-8 ]
  • [ 4181-20-8 ]
  • [ 1581300-06-2 ]
YieldReaction ConditionsOperation in experiment
63% With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; triphenylphosphine; In tetrahydrofuran; at 65℃; for 48h; General procedure: A solution of tris-(4-iodophenyl)amine 4 (0.200 g, 0.321 mmol), 3-ethynyl-6-methoxypyridazine (0.150 g, 1.123 mmol), Pd(PPh3)2Cl2 (0.017 g, 0.090 mmol), CuI (0.063 g, 0.090 mmol), PPh3(0.047 g,0.180 mmol) in 30 mL of a mixture of 1/1 THF/Et3N was stirred at 65C for 48 h. The reaction was cooled, filtered through Celite and evaporated under reduced pressure. The crude product was purified by column chromatography on silica gel (petroleum ether/ethyl acetate1:2) to give the title compound 5as a yellow solid (0.129 g, 63percent). Mp: 223C. IR (cm1, neat): 3039, 2949, 2360, 2345,2218, 1735, 1655, 1594, 1542, 1505, 1462, 1410, 1338, 1318, 1288,1180, 1153, 1110, 999, 833, 731, 682, 635, 531, 485, 420;1H NMR(300 MHz, CDCl3)d(ppm): 4.17 (s, 9H), 6.96 (d,J9.2 Hz, 3H), 7.11(d,J8.7 Hz, 6H), 7.51 (d,J9.2 Hz, 3H), 7.53 (d,J8.8 Hz, 6H);13CNMR (75 MHz, CDCl3) d (ppm): 55.2, 85.9, 92.0, 116.7, 116.9, 124.2,132.4, 133.4, 143.8, 147.3, 163.4; HRMS: calcd for C39H28N7O3[MH]642.2254; found 642.2263.
 

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