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Chemical Structure| 53997-74-3 Chemical Structure| 53997-74-3

Structure of 53997-74-3

Chemical Structure| 53997-74-3

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Product Details of [ 53997-74-3 ]

CAS No. :53997-74-3
Formula : C11H16N2O
M.W : 192.26
SMILES Code : CC(NC1=C(C)C=C(C)C(N)=C1C)=O
MDL No. :MFCD05855327

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Application In Synthesis of [ 53997-74-3 ]

* 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 [ 53997-74-3 ]

[ 53997-74-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 126-33-0 ]
  • [ 53997-74-3 ]
  • [ 77545-45-0 ]
  • C41H40N4O6S(2-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Synthesis Example 1 Production of water-insoluble coloring compound (5)[0123] 3-Acetylamino-2, 4 , 6-trimethylaniline (7.3 g) and Compound A (7.4 g) shown in the above-described synthesis scheme were heated at 150C for 3 hours for reaction in <strong>[126-33-0]<strong>[126-33-0]sulfolan</strong>e</strong> (20 mL) in the presence of zinc chloride (4.1 g) . This solution was cooled and was then poured into 50 mL of a 2 mol/L hydrochloric acid solution. The precipitated crystals were separated by filtration, washed with water, and then crystallized from acetone to yield the water- insoluble coloring compound (5).[0124] 1H-NMR analysis, LC/TOF MS analysis, and UV/Vis spectroscopic analysis of the water-insoluble coloring compound (5) were performed with the above-mentionedanalytical apparatuses. The analytical results are shown below .Analytical results of water-insoluble coloring compound (5) [1] Result of """H-NMR (400 MHz, DMSO-d6, 80C) (see Fig. 1) : delta [ppm] = 9.72 (s, 2H) , 9.10 (s, 2H) , 8.01 (d, 1H, J = 7.63 Hz), 7.60 (t, 1H, J = 7.25 Hz), 7.51 (t, 1H, J = 7.63 Hz), 7.18-7.08 (m, 7H) , 5.92 (br, 1H) , 2.16-1.98 (m, 24H) .[2] Mass spectrometry (ESI-TOF) : m/z = 715.2696 (M-H) ~ .[3] Result of UV/Vis spectroscopic analysis: = 530 nm (CH3OH: 2.5 x 10"5 mol/L).[0125] All of water-insoluble coloring compound (5) obtained above and water-insoluble coloring compounds (1) to (4) and (6) to (25) produced below had a solubility in water of less than 1% as mass percentage and were thus water- insoluble compounds.
 

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