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Chemical Structure| 21731-17-9 Chemical Structure| 21731-17-9

Structure of 21731-17-9

Chemical Structure| 21731-17-9

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Product Details of [ 21731-17-9 ]

CAS No. :21731-17-9
Formula : C5H9NO2
M.W : 115.13
SMILES Code : C/C(N)=C/C(OC)=O
MDL No. :MFCD00071534

Safety of [ 21731-17-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H317-H318-H402
Precautionary Statements:P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P501

Application In Synthesis of [ 21731-17-9 ]

* 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 [ 21731-17-9 ]

[ 21731-17-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 68064-64-2 ]
  • [ 21731-17-9 ]
  • [ 72509-76-3 ]
  • 2
  • [ 54527-65-0 ]
  • [ 21731-17-9 ]
  • [ 96516-29-9 ]
  • 2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4-(2-fluoro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
In isopropyl alcohol; EXAMPLE 3 Synthesis of 2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4-(2-fluoro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (104) A mixture of 330 mg of <strong>[96516-29-9]2-fluoro-3-nitrobenzaldehyde</strong>, 252 mg of methyl 3-aminocrotonate and 506 mg of 2-(N-benzyl-N-methylamino)ethyl acetoacetate in 2 ml of 2-propanol was refluxed for 12 hours, and then the solvent was distilled off in vacuo. The residue was purified by the method of a column chromatography on silica gel to provide 492 mg of the desired compound (104). IR (CHCl3) numaxcm-1: 1692, 1614, 1462 NMR (CDCl3) deltappm: 7.94-7.55 (m, 2H), 7.27 (s, 5H), 7.06 (m, 1H), 5.83 (brs, 1H), 5.31 (s, 1H), 4.13 (t, 2H, J=6 Hz), 3.59 (s, 3H), 3.48 (s, 2H), 2.60 (t, 2H, J=6 Hz), 2.30 (s, 6H), 2.15 (s, 3H)
  • 3
  • 3-chloro-2,2-dimethylpropyl acetoacetate [ No CAS ]
  • [ 21731-17-9 ]
  • [ 96516-29-9 ]
  • 3-chloro-2,2-dimethylpropyl methyl 2,6-dimethyl-4-(2-fluoro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
In isopropyl alcohol; (v) To a solution of 1.70 g of <strong>[96516-29-9]2-fluoro-3-nitrobenzaldehyde</strong> in 10 ml of isopropanol were added 1.15 g of methyl 3-aminocrotonate and 2.10 g of 3-chloro-2,2-dimethylpropyl acetoacetate. The mixture was refluxed for 5 hours. Solvent was distilled off under reduced presoure to leave a residue. The residue was chromatographed on silica gel to give 2.09 g of 3-chloro-2,2-dimethylpropyl methyl 2,6-dimethyl-4-(2-fluoro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
 

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