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Chemical Structure| 1320747-32-7 Chemical Structure| 1320747-32-7

Structure of 1320747-32-7

Chemical Structure| 1320747-32-7

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Product Details of [ 1320747-32-7 ]

CAS No. :1320747-32-7
Formula : C13H14BF6NO2
M.W : 341.06
SMILES Code : FC(F)(F)C1=CC(B2OC(C)(C(C)(O2)C)C)=CC(C(F)(F)F)=N1
MDL No. :MFCD26516889

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Application In Synthesis of [ 1320747-32-7 ]

* 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 [ 1320747-32-7 ]

[ 1320747-32-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 455-00-5 ]
  • [ 73183-34-3 ]
  • [ 1320747-32-7 ]
  • 2
  • [ 455-00-5 ]
  • [ 25015-63-8 ]
  • [ 1320747-32-7 ]
YieldReaction ConditionsOperation in experiment
93% With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)diiridium(I) dichloride; at 80℃; for 4h;Inert atmosphere; In a fume hood, an oven-dried Schlenk flask equipped with magnetic stirring bar was filled with N2 and evacuated (three cycles). Under N2atmosphere, [IrCl(COD)]2 (6.7 mg, 0.01 mmol, 2 mol% Ir), 2,2?-bipyridyl(3.1 mg, 0.02 mmol, 2 mol%), HBPin (218 muL, 192 mg, 1.5 mmol,1.5 equiv), and <strong>[455-00-5]2,6-bis(trifluoromethyl)pyridine</strong> (215 mg, 1 mmol, 1equiv) were added. The Schlenk flask was closed and the mixture was heated at 80 C for 4 h in an oil bath. After 4 h, the Schlenk flask was cooled to r.t. and exposed to air. The mixture was taken out by dissolving in CH2Cl2 and the volatiles were removed under reduced pressure. The crude product was purified by column chromatography; white solid; yield: 318 mg (93%); mp 87-88 C; Rf = 0.5 (CH2Cl2).FT-IR (ATR): 2983, 2963, 1310, 1272, 1139, 964, 912, 875, 844 cm-1.1H NMR (700 MHz, CDCl3): delta = 8.21 (s, 2 H), 1.38 (br s, 12 H, 4 CH3 of BPin).13C NMR (176 MHz, CDCl3): delta = 148.1 (q, 2JC-F = 35.7 Hz, 2 C), 128.1 (2CH), 121.0 (q, 1JC-F = 274.6 Hz, 2 CF3), 85.6 (2 C), 24.8 (4 CH3 of BPin).Carbon atom attached to the boron atom of BPin group not observed due to broadening from and coupling with boron. GC-MS (EI): m/z (%) = 341 (5) [M]+, 326 (100), 322 (15), 299 (14), 281(9), 255 (11).HRMS (ESI-Orbitrap): m/z [M + H]+ calcd for C13H15BF6NO2:342.10945; found: 342.10860.
 

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