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Chemical Structure| 5043-32-3 Chemical Structure| 5043-32-3

Structure of 5043-32-3

Chemical Structure| 5043-32-3

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Product Details of [ 5043-32-3 ]

CAS No. :5043-32-3
Formula : C12H7NO2
M.W : 197.19
SMILES Code : O=C(C1=CC=C2C(C#N)=CC=CC2=C1)O
MDL No. :MFCD20639510

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Application In Synthesis of [ 5043-32-3 ]

* 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 [ 5043-32-3 ]

[ 5043-32-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1013-83-8 ]
  • [ 557-21-1 ]
  • [ 5043-32-3 ]
YieldReaction ConditionsOperation in experiment
80% With diethylzinc; tris-(o-tolyl)phosphine;palladium diacetate; In 1-methyl-pyrrolidin-2-one; hexane; at 60℃; for 19.0h; A solution of Pd(OAc)2 (0.012 g, 0.054 mmol) and tri-o-tolylphosphine (0.073 g, 0.240 mmol) in degassed N-methylpyrrolidone (2 mL) is heated at 60° C. for 30 minutes. A solution of 1.0 M diethylzinc in hexane (0.11 mL, 0.11 mmol) is then added and stirring is continued for additional 30 minutes. To this mixture is added a mixture of <strong>[1013-83-8]5-bromo-naphthalene-2-carboxylic acid</strong>, 1, (0.135 g, 0.536 mmol) and Zn(CN)2 (0.063 g, 0.536 mmol) in degassed N-methylpyrrolidone (2 mL). The resulting mixture is heated at 60° C. for 18 hrs. The reaction mixture is cooled and directly loaded to a prep-HPLC column eluting with CH3CN-H2O (0.1percent TFA) to afford 0.085 g (80percent yield) of the desired product as a white solid. m.p. 250° C. (dec.). 1H NMR (300 MHz, CDCl3): delta 8.61 (s, 1H), 8.18 (m, 2H), 8.14 (d, J=8.7 Hz, 1H), 7.94 (d, J=7.2 Hz, 1H), 7.54 (t, J=8.4 Hz, 1H). 13C NMR (75 MHz, CDCl3): delta 168.4, 134.9, 134.8, 134.5, 132.4, 131.9, 129.9, 128.5, 125.9, 125.5, 117.5, 110.2.
  • 2
  • [ 1013-83-8 ]
  • [ 5043-32-3 ]
 

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