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Chemical Structure| 1446002-31-8 Chemical Structure| 1446002-31-8

Structure of 1446002-31-8

Chemical Structure| 1446002-31-8

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Product Details of [ 1446002-31-8 ]

CAS No. :1446002-31-8
Formula : C7H5IN2O
M.W : 260.03
SMILES Code : N#CC1=C(OC)N=CC(I)=C1
MDL No. :MFCD27918622

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Application In Synthesis of [ 1446002-31-8 ]

* 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 [ 1446002-31-8 ]

[ 1446002-31-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1446002-31-8 ]
  • [ 105655-01-4 ]
  • [ 1446002-32-9 ]
YieldReaction ConditionsOperation in experiment
52% With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate; In toluene; at 110℃; for 18h;Inert atmosphere; b) 5-(6-Bromo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-2-methoxy-nicotinonitrile A mixture of <strong>[105655-01-4]6-bromo-3,4-dihydro-2H-benzo[1,4]oxazine</strong> (CAS registry 105655-01-4) (5.0 g, 23.36 mmol), 5-iodo-2-methoxy-nicotinonitrile (12.2 g, 46.7 mmol) and NaOtBu (2.69 g, 28.0 mmol) in toluene (50 ml) was degassed with argon for 10 min, then bis(tri-tert-butylphosphine)-palladium(0) (0.36 g, 0.70 mmol) was added. The reaction mixture stirred at 110 C. for 18 h under argon. After cooling to rt, the reaction mixture was filtered through celite, rinsed with EtOAc and the filtrates were washed with sat. aq. NaHCO3 soln. The organic layer was dried over Na2SO4, filtered, concentrated and purified by flash chromatography on silica gel (cyclohexane/EtOAc, 100:0 to 50:50) to yield the title compound (4.2 g, 52% yield). UPLC RtM14=1.55 min; ESIMS: 348 [(M+H)+]. 1H NMR (400 MHz, CDCl3): delta 8.31 (d, 1H), 7.80 (d, 1H), 6.89 (dd, 1H), 6.78 (d, 1H), 6.67 (d, 1H), 4.30-4.35 (m, 2H), 4.10 (s, 3H), 3.61-3.66 (m, 2H).
 

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