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Chemical Structure| 213685-54-2 Chemical Structure| 213685-54-2

Structure of 213685-54-2

Chemical Structure| 213685-54-2

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Product Details of [ 213685-54-2 ]

CAS No. :213685-54-2
Formula : C9H7NO3S
M.W : 209.22
SMILES Code : O=C(C1=C2NC(OC2=CC=C1)=S)OC
MDL No. :MFCD25960998

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Application In Synthesis of [ 213685-54-2 ]

* 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 [ 213685-54-2 ]

[ 213685-54-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 17672-21-8 ]
  • [ 140-89-6 ]
  • [ 213685-54-2 ]
YieldReaction ConditionsOperation in experiment
52% With pyridine; for 2h;Heating / reflux; A mixture of <strong>[17672-21-8]methyl 2-amino-3-hydroxybenzoate</strong> from Step A (2.04 g, 12.2 mmol) and potassium O-ethylxanthate (1.37 g, 8.56 mmol) in pyridine (8 mL) was heated to reflux for 2 h, then cooled to room temperature and poured into a mixture of ice-water (45 mL) and conc. HCl (4.8 mL). The resulting precipitate was collected by filtration and washed with water, dried on vacuum to give methyl 2-thioxo-2,3-dihydrobenzoxazole-4-carboxylate (1.33 g, 52%) as a light brown solid: 1H NMR (500 MHz, CDCl3) delta 10.40 (br s, 1H), 7.82 (dd, J 8.0, 1.0 Hz, 1H), 7.49 (dd, J 8.0, 1.0 Hz, 1H), 7.28 (t, J=8.0 Hz, 1H), 4.01 (s, 3H); MS (ESI+) m/z 210 (M+H).
 

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