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Chemical Structure| 870-64-4 Chemical Structure| 870-64-4

Structure of 870-64-4

Chemical Structure| 870-64-4

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Product Details of [ 870-64-4 ]

CAS No. :870-64-4
Formula : C4H6N2
M.W : 82.10
SMILES Code : C/C(N)=C/C#N
MDL No. :MFCD02730113

Safety of [ 870-64-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H311-H317
Precautionary Statements:P261-P264-P270-P272-P280-P301+P312+P330-P302+P352+P312-P333+P313-P405-P501
Class:6.1
UN#:3439
Packing Group:

Application In Synthesis of [ 870-64-4 ]

* 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 [ 870-64-4 ]

[ 870-64-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 870-64-4 ]
  • [ 77771-02-9 ]
  • [ 50607-30-2 ]
  • 4-(3-bromo-4-fluorophenyl)-3-cyano-2-methyl-4,6,7,8-tetrahydro[1,6]naphthyridin-5(1H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
61% In ethanol; EXAMPLE 1D 4-(3-bromo-4-fluorophenyl)-3-cyano-2-methyl-4,6,7,8-tetrahydro[1,6]naphthyridin-5(1H)-one The product from Example 1C (0.520 g, 4.60 mmol), 3-bromo-4-fluorobenzaldehyde (0.934 g, 4.60 mmol) and 3-aminocrotononitrile (0.378 g, 4.60 mmol) in ethyl alcohol (25 mL) were stirred at 80° C. in a sealed tube for 12 hours. After cooling to ambient temperature, the reaction mixture was filtered to provide the title compound as a white solid (0.654 g). The filtrate was concentrated and flash chromatographed (silica, ethyl acetate:dichloromethane:methyl alcohol, 21:3:1 to 21:0:4) to provide an additional amount of the title compound (0.365 g, 61percent combined yield). MS (APCI+) m/z 362 (M+H)+; 1H NMR (DMSO-d6) delta9.33 (br s, 1H), 7.44 (dd, 1H, J=6.6, 2.1 Hz), 7.32 (dd, 1H, J=8.7, 8.7 Hz), 7.27-7.22 (m, 1H), 7.06 (br s, 1H), 4.53 (s, 1H), 3.21-3.16 (m, 2H), 2.55-2.33 (m, 2H), 2.05 (s, 3H); Anal. Calcd for C16H13BrFN3O: C, 53.06; H, 3.62; N, 11.60. Found: C, 52.83; H, 3.44; N, 11.39.
  • 2
  • [ 178686-24-3 ]
  • [ 870-64-4 ]
  • [ 57641-89-1 ]
  • 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethanol; for 17.0h;Heating / reflux; (b). 4-(3-Ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile A mixture of <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitro-benzaldehyde</strong> (1.5 g), 3-aminocrotonitrile (584 mg) and 5-propylcyclohexane-1,3-dione (1.09 g) in ethanol (60 ml) was heated at reflux for 17 h. The mixture was concentrated in vacuo. The residue was purified by chromatography on silicagel in heptane/ethyl acetate 1/0?0/1 (v/v) as eluent.Yield: 1.3 g. MS-ESI: [M+H]+=412.3
 

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