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Chemical Structure| 639523-11-8 Chemical Structure| 639523-11-8

Structure of 639523-11-8

Chemical Structure| 639523-11-8

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Product Details of [ 639523-11-8 ]

CAS No. :639523-11-8
Formula : C8H11NO3
M.W : 169.18
SMILES Code : O=C(C1=CON=C1CC)OCC
MDL No. :MFCD18833193

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Application In Synthesis of [ 639523-11-8 ]

* 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 [ 639523-11-8 ]

[ 639523-11-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 65651-80-1 ]
  • [ 108-03-2 ]
  • [ 639523-11-8 ]
YieldReaction ConditionsOperation in experiment
69% With phenyl isocyanate; triethylamine; In toluene; at 20 - 60℃; for 14h; A solution of (E)-ethyl 3-(pyrrolidin- 1 -yl)acrylate (3.2 g, 18.9 mmol), 1 -nitropropane (1.87 mL, 20.8 mmol), isocyanatobenzene (5.69 mL, 52.38 mmol) and triethylamine (0.39 mL, 2.84 mmol) in toluene (45 mL) was stirred at 20 C for 2 h then heated at 60 C for 12 h. The reaction mixture was cooled to 20 C, and the precipitate was filtered off and rinsed with toluene (30 mL x 2). The filtrate was concentrated, and the residue was purified by flashchromatography (eluting gradient: 0-10% ethyl acetate in petroleum ether) to give ethyl 3- ethylisoxazole-4-carboxylate as a colorless oil (2.2 g, 69%). ‘H NMR (400 MHz, CDC13) ö 8.84 (s, 1H), 4.33 (q,J=7.2 Hz, 2H), 2.95 (q,J=7.6 Hz, 2H), 1.38- 1.28 (m, 6H).
 

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