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Chemical Structure| 57279-49-9 Chemical Structure| 57279-49-9

Structure of 57279-49-9

Chemical Structure| 57279-49-9

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Product Details of [ 57279-49-9 ]

CAS No. :57279-49-9
Formula : C12H10OS
M.W : 202.27
SMILES Code : O=C(C1=CC=CC=C1)CC2=CSC=C2

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Application In Synthesis of [ 57279-49-9 ]

* 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 [ 57279-49-9 ]

[ 57279-49-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 178686-24-3 ]
  • [ 57279-49-9 ]
  • [ 57-13-6 ]
  • [ 1283117-02-1 ]
YieldReaction ConditionsOperation in experiment
24.8% With hydrogenchloride; In ethanol; water; for 72.0h;Reflux; 00150] A mixture of l-phenyl-2-(thiophen-3-yl)ethanone (Intermediate 2) (100 mg,0.50 mmol), <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitrobenzaldehyde</strong> (100 mg, 0.47 mmol), and urea (90 mg, 1.4 mmol) in anhydrous EtOH (10 mL) was added concentrated HC1 solution (0.1 mL), and the reaction mixture was refluxed for three days. When TLC (EtOAc:MeOH=10: 1) showed that about 50% of starting materials were consumed, the reaction mixture was concentrated and purified by column chromatography (EtOAc:MeOH=40: 1) and preparative HPLC to afford Compound 5 as a yellow solid (51 mg, yield 24.8 %). 1H NMR (DMSO- 6 400 MHz TMS): delta 10.30 (s, 1H), 8.73 (s, 1H), 7.57 (s, 1H), 7.51 (s, 1H), 7.37 (s, 3H), 7.29 (s, 3H), 7.16 (s, lH), 6.86 (s, 1H), 6.23 (d, J = 4.8 Hz, 1H), 5.21 (s, 1H), 4.10 (q, J = 7.2 Hz, 2H); 1.37 (t, J = 7.2 Hz, 3H); MS (ESI): m/z 438.1 [M+l]+.
  • 2
  • [ 178686-24-3 ]
  • [ 57279-49-9 ]
  • [ 1283117-04-3 ]
  • [ 1283117-03-2 ]
 

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