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Chemical Structure| 849662-01-7 Chemical Structure| 849662-01-7

Structure of 849662-01-7

Chemical Structure| 849662-01-7

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Product Details of [ 849662-01-7 ]

CAS No. :849662-01-7
Formula : C10H11NO4
M.W : 209.20
SMILES Code : O=C(C1=CC=C(C2OCCO2)N=C1)OC
MDL No. :MFCD16036582

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Application In Synthesis of [ 849662-01-7 ]

* 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 [ 849662-01-7 ]

[ 849662-01-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 10165-86-3 ]
  • [ 107-21-1 ]
  • [ 849662-01-7 ]
YieldReaction ConditionsOperation in experiment
81% toluene-4-sulfonic acid; In toluene; for 7.5h;Heating / reflux; 6-Formyl-nicotinic acid methyl ester (300 mg, 1.82 mmol) was dissolved in toluene (25 ml) and ethylene glycol (0.33 ml, 5.92 mmol) and p-toluenesulfonic acid (cat) were added. The mixture is refluxed with a dean-stark for 7.5 hours. The solvents are evaporated and the crude product was purified by column chromatography (SiO2, CH2Cl2/MeOH =99/1). The protected aldehyde was obtained as a white solid (310 mg, 81 percent). 1H NMR (400 MHz, CDCl3, 298K) delta 9.18 (d, 3J(H, H) = 1.8 Hz, 1H, ArH), 8.31 (dd, 3J(H, H) = 8.2Hz ; 2.2 Hz, 1H, ArH), 7.59 (d, 3J(H, H) = 8.0 Hz, 1H, ArH), 5.87 (s, 1H, CH), 4.16-4.05 (m, 4 H, CH2), 3.93 (s, 3 H, CH2). 13C NMR (100 MHz, CDCI3, 298K) delta 165.5 (C=O), 161.0 (ArC), 150.5 (ArCH), 138.0 (ArCH), 126.2 (ArC), 120.3 (ArCH), 103.1 (CH), 65.7 (CH2), 52.5 (CH3).
 

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