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Chemical Structure| 4160-65-0 Chemical Structure| 4160-65-0

Structure of 4160-65-0

Chemical Structure| 4160-65-0

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Product Details of [ 4160-65-0 ]

CAS No. :4160-65-0
Formula : C11H7BrOS
M.W : 267.14
SMILES Code : O=C(C1=CC=C(Br)C=C1)C2=CC=CS2
MDL No. :MFCD09891233

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Application In Synthesis of [ 4160-65-0 ]

* 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 [ 4160-65-0 ]

[ 4160-65-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4160-65-0 ]
  • [ 163520-14-7 ]
  • [ 698356-02-4 ]
YieldReaction ConditionsOperation in experiment
86% With sodium hydroxide;tetrakis(triphenylphosphine) palladium(0); In ethanol; water; toluene; at 80℃; for 3h; 5-iso-Butyl-2-(N-tert-butylaminosulfonyl)thiophene-3-boronic acid (0. 233 g, 0.73 mmol; see Example L (c) above), (4-bromophenyl) thiophen-2- ylmethanone (0.15 g, 0.56 mmol; see step (b) above), toluene (5 ML), ethanol (1.5 mL), NAOH (1.0 M, 2.2 mL, 2.24 mmol) and Pd (PPH3) 4 (0. 019 g, 0.016 mmol) were mixed under N2. The mixture was heated at 80C for 3 hours and then diluted with EtOAc (25 mL), washed with water and then brine, and dried over MgS04. The solvent was evaporated and the residue was purified by flash chromatography using petroleum ether : acetone as eluent to give 0.123 g of the sub-title compound in 86% YIELD. MS (ESI+) M/Z : 462 (M+) LH NMR (CDC13, 270 MHz): No. 7.92 (d, J = 8.6 Hz, 2H), 7.76-7. 72 (M, 3H), 7.65 (M, 1H), 7.16 (M, 1H), 6.79 (s, 1H), 4.18 (brs, 1H), 2.68 (d, J= 7.3 Hz, 2H), 1.92 (M, 1H), 1. 01 (s, 9H), 0.96 (d, J = 6.60 Hz, 6H) 13C NMR (CDC13,67. 5 MHz): 5 187.4, 148.8, 143.3, 141.9, 138. 8,137. 7, 137.2, 134.8, 134. 4, 129. 2, 1.29. 1, 128.6, 128.0, 54.7, 39. 1, 30.5, 29.5, 22.1. IR (neat): 3283,2958, 2360,1635, 1414, 1313, 1145CM~
 

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