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Chemical Structure| 89977-05-9 Chemical Structure| 89977-05-9

Structure of 89977-05-9

Chemical Structure| 89977-05-9

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Product Details of [ 89977-05-9 ]

CAS No. :89977-05-9
Formula : C8H8N2O4
M.W : 196.16
SMILES Code : O=C(C1=C(C(O)=O)C=C(C)N=C1N)O
MDL No. :MFCD18817344

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Application In Synthesis of [ 89977-05-9 ]

* 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 [ 89977-05-9 ]

[ 89977-05-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 57508-48-2 ]
  • [ 615-79-2 ]
  • [ 89977-05-9 ]
YieldReaction ConditionsOperation in experiment
85% To a solution of 136 mg NaOEt in 2 mL EtOH is added 330 mg of 3-amino-3-imino-propanoic ethyl ester hydrochloride at room temperature. A total of 310 mg of ethyl 2,4-dioxopentanoate is added next. The reaction mixture is heated to reflux for 2 h. Then, 1.6 g of 20% NaOH aq. solution is added under reflux, the mixture is refluxed for another 1 h. It is cooled to room temperature, the reaction mixture is adjusted to pH = 5-6. The product is precipitated as solid. It is collected by filtration and washed with 2 mL water twice. A total of 327 mg (yield 85.0%) of the desired product is obtained after being dried at 60C in vacuum oven. ?H NMR (400 MHz, D20 with NaOD): 8 6.45 (s, 1H), 2.24 (s, 3H); ?3C NMR (100 MHz, D20 with NaOD): 8 177.11, 173.73, 157.99, 156.92, 150.84, 111.45, 111.12, 22.66; MS (m/z+1): 197.1.
 

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