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Chemical Structure| 105191-14-8 Chemical Structure| 105191-14-8

Structure of 105191-14-8

Chemical Structure| 105191-14-8

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Product Details of [ 105191-14-8 ]

CAS No. :105191-14-8
Formula : C12H9NO2S
M.W : 231.27
SMILES Code : O=C(C1=CC2=CC(C#N)=CC=C2S1)OCC
MDL No. :MFCD13180921

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Application In Synthesis of [ 105191-14-8 ]

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  • Downstream synthetic route of [ 105191-14-8 ]

[ 105191-14-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 13771-68-1 ]
  • [ 105191-14-8 ]
YieldReaction ConditionsOperation in experiment
In 1-methyl-pyrrolidin-2-one; nitrogen; f) 7.0 g of <strong>[13771-68-1]ethyl 5-bromobenzo[b]thiophene-2-carboxylate</strong> obtained in the above step e) and 5.4 g of cuprous cyanide were suspended in 70 ml of N-methyl-2-pyrrolidone, and the suspension was stirred for 2 hours with heating at a temperature of 200 C. in a stream of nitrogen. After cooling, the reaction mixture was diluted with ethyl acetate, insoluble materials were removed by filtration, and the resulting filtrate was washed with water and dried. After distilling off the solvent, the crystals precipitated were collected by filtration and washed with ethanol to obtain 5.02 g of ethyl 5-cyanobenzo[b]thiophene-2-carboxylate as crystals. mp: 138-139 C. IR (KBr): 2232, 1728, 1262 cm-1 1 H-NMR (CDCl3) δ: 1.43 (3H, t, J=7.0Hz), 4.45 (2H, q, J=7.0Hz), 7.70 (1H, dd, J=9.0 and 1.8Hz), 8.04 (1H, d, J=9.0Hz), 8.08 (1H), 8.20 (1H)
 

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