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Chemical Structure| 686768-50-3 Chemical Structure| 686768-50-3

Structure of 686768-50-3

Chemical Structure| 686768-50-3

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Product Details of [ 686768-50-3 ]

CAS No. :686768-50-3
Formula : C8H7NO
M.W : 133.15
SMILES Code : COC1=CN=CC(C#C)=C1
MDL No. :MFCD11109682

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Application In Synthesis of [ 686768-50-3 ]

* 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 [ 686768-50-3 ]

[ 686768-50-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 686768-50-3 ]
  • [ 156150-67-3 ]
  • [ 866685-80-5 ]
YieldReaction ConditionsOperation in experiment
93% With triethylamine;bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 60℃; for 5h; Add bis (triphenylphosphine) palladium (II) dichloride (110 mg, 0. 15 mmol), copper (I) iodide (57 mg, 0. 30 mmol), and 3-ethynyl-5-methoxypyridine, (prepared as described in PREPARATION 10), (400 mg, 3. 0 mmol) to a solution of 2-chloro-1-fluoro- 4-iodobenzene (0. 46 mL, 3. 6 mmol) in triethylamine (6. 3 mL, 45. 0 mmol-) and heat at 60 C for 5 h. Cool to room temperature and concentrate. Purify the residue by silica gel chromatography, eluting with a gradient of 100 : 0 to 80 : 20 dichloromethane : ethyl acetate, followed by a second silica gel chromatography, eluting with 67 : 33 to 60 : 40 hexanes : ethyl acetate, to give the title compound as a white solid (730 mg, 93%). 1H NMR (300 MHz, Cd13) 8 3. 88 (s, 3H), 7. 11-7. 18 (t, J = 8. 7 Hz, 1H), 7. 28-7. 32 (m, 1H), 7. 39-7. 46 (m, 1H), 7. 57-7. 63 (m, 1H), 8. 27-8. 30 (d, J = 2. 8 Hz, 1H), 8. 34-8. 37 (d, J = 1. 5 Hz, 1H) ; MS (APCI) : m/z = 262 [M+H]+.
 

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