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Chemical Structure| 103796-64-1 Chemical Structure| 103796-64-1

Structure of 103796-64-1

Chemical Structure| 103796-64-1

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Product Details of [ 103796-64-1 ]

CAS No. :103796-64-1
Formula : C9H12N2O2
M.W : 180.20
SMILES Code : CCCNC1=CC=C([N+]([O-])=O)C=C1

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Application In Synthesis of [ 103796-64-1 ]

* 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 [ 103796-64-1 ]

[ 103796-64-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 51919-01-8 ]
  • [ 14150-94-8 ]
  • 2-ethanoyl-4-nitro-N-propylaniline [ No CAS ]
  • [ 103796-64-1 ]
YieldReaction ConditionsOperation in experiment
43%; 9%Spectr. With triethylamine; In ethanol; at 100℃; for 24h; To a solution of dinitropyridone 1 (50.0 mg, 0.25 mmol) in ethanol (5 ml), were added enaminone 4a (38.8 mg, 0.25 mmol) and triethylamine (35mul, 0.25 mmol). The resultant mixture was heated at 100 C for 1 day. After evaporation, the residue was treated with column chromatography on alumina to afford 2-ethanoly-4-nitro-N-propylaniline (3a) (eluted with hexane/ethyl acetate = 8/2, 23.0 mg, 0.11 mmol, 43% (NMR Yield 63%)) as a yellow solid. Mp 89.1-90.6 . 1H NMR (400 MHz, CDCl3) delta 1.06 (t, J = 7.2 Hz, 3H), 1.76 (tq, J = 7.2, 7.2 Hz, 2H), 2.66 (s, 3H), 3.28 (dt, J = 7.2, 7.2 Hz, 2H), 6.71 (d, J = 9.2 Hz, 1H), 8.20 (dd, J = 9.2, 2.4 Hz, 1H), 8.73 (d, J = 2.4 Hz, 1H), 9.55-9.80 (br, 1H); 13C NMR (100 MHz, CDCl3) delta 11.5 (CH3), 22.1 (CH2), 27.8 (CH2), 44.8 (CH3), 111.5 (CH), 115.7 (C), 130.0 (CH), 130.0 (CH), 135.1 (C), 154.7 (C), 200.4 (C); IR (KBr /cm-1) 3276, 1645, 1583; HRMS (ESI-TOF) Calcd. for C11H14N2O3 (M+) 223.1073; found 223.1077.
 

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