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Chemical Structure| 1228188-16-6 Chemical Structure| 1228188-16-6

Structure of 1228188-16-6

Chemical Structure| 1228188-16-6

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Product Details of [ 1228188-16-6 ]

CAS No. :1228188-16-6
Formula : C12H15BN2O2
M.W : 230.07
SMILES Code : CC1(C)COB(C2=C(C#N)N=C(C)C=C2)OC1

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Application In Synthesis of [ 1228188-16-6 ]

* 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 [ 1228188-16-6 ]

[ 1228188-16-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1120-95-2 ]
  • [ 1228188-16-6 ]
  • [ 1228431-02-4 ]
YieldReaction ConditionsOperation in experiment
With copper(l) iodide; cesium fluoride;tetrakis(triphenylphosphine) palladium(0); In 1,4-dioxane; at 65℃; for 1.5h; 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-methyl-2-pyridinecarbonitrile D67 (150 mg) <strong>[1120-95-2]3-<strong>[1120-95-2]chloropyridazine</strong></strong> (74.7 mg, 0.652 mmol), cesium fluoride (198 mg, 1.304 mmol), copper(I) iodide (20.98 mg, 0.110 mmol), Pd(Ph3P)4 (37.7 mg, 0.033 mmol) were suspended in 1,4-Dioxane (2.6 ml) and stirred at 65° C. for 1.5 hours. After this time the reaction mixture was filtered through a celite pad, rinsed with EtOAc (20 ml) and the organic solution was evaporated under reduced pressure to give a black oil which was purified by silica gel chromatography (SNAP KP-Sil 25 g cartridge; eluted with Cy/EtOAc: 100percent Cy to 80/20 Cy/EtOAc). Collected and evaporated fractions gave title compound D90 (61 mg) as yellow solid. UPLC (Basic GEN_QC): rt=0.47 minutes, peak observed 197 (M+1), C11H8N4 requires 196. 1H NMR (400 MHz, DMSO-d6) delta ppm 2.64 (s, 3H) 7.80 (d, 1H) 7.94 (dd, 1H) 8.22 (dd, 1H) 8.32 (d, 1H) 9.38 (dd, 1H).
 

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