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Chemical Structure| 5181-36-2 Chemical Structure| 5181-36-2

Structure of 5181-36-2

Chemical Structure| 5181-36-2

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Product Details of [ 5181-36-2 ]

CAS No. :5181-36-2
Formula : C11H10BrNO3
M.W : 284.11
SMILES Code : O=C(N1OCCCBr)C2=CC=CC=C2C1=O
MDL No. :MFCD00158630

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Application In Synthesis of [ 5181-36-2 ]

* 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 [ 5181-36-2 ]

[ 5181-36-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5181-36-2 ]
  • [ 137215-27-1 ]
  • 2-(3-((4-methyl-2-oxo-2H-chromen-7-yl)thio)propoxy)isoindoline-1,3-dione [ No CAS ]
YieldReaction ConditionsOperation in experiment
95% With potassium carbonate; In acetonitrile; for 16h;Inert atmosphere; Reflux; In a 25 ml round bottom flask, 7-Mercapto-4-methylcoumarin (192 mg, 1 mmol), K2CO3 (276 mg, 2 mmol) and 2-(3-bromopropoxy)isoindoline-l ,3-dione (568 mg, 2 mmol) were dissolved in degassed acetonitrile (5 ml) and refiuxed for 16 h. The reaction mixture was concentrated in vacuo and purified by silica gel flash column chromatography using ethyl acetate :hexane (7:3) to give S17 in 95% yield. NMR (400 MHz, CDCI3) delta 7.90-7.82 (m, 2H), 7.81-7.73 (m, 2H), 7.50 (d, / = 8.2 Hz, 1H), 7.26-7.20 (m, 2H), 6.22 (d, / = 0.8 Hz, 1H), 4.36 (t, / = 5.8 Hz, 2H), 3.35 (t, / = 7.1 Hz, 2H), 2.41 (d, / = 0.9 Hz, 3H), 2.23-2.08 (m, 2H). 13C NMR (100 MHz, CDCI3) delta 163.8, 160.7, 154.0, 152.3, 142.6, 134.7, 129.0, 124.9, 123.8, 123.4, 117.5, 114.8, 114.1, 76.6, 28.7, 27.8, 18.7 ppm. HRMS (ESI) [MH]+ calcd. C2iHi8N05S 396.0906, found 396.0925
 

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