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Chemical Structure| 77545-45-0 Chemical Structure| 77545-45-0

Structure of 77545-45-0

Chemical Structure| 77545-45-0

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Product Details of [ 77545-45-0 ]

CAS No. :77545-45-0
Formula : C19H10Cl2O4S
M.W : 405.25
SMILES Code : ClC1=CC2=C(C3(C4=C(O2)C=C(Cl)C=C4)C5=CC=CC=C5S(O3)(=O)=O)C=C1

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Application In Synthesis of [ 77545-45-0 ]

* 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 [ 77545-45-0 ]

[ 77545-45-0 ] Synthesis Path-Downstream   1~3

  • 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.
  • 2
  • [ 13093-04-4 ]
  • [ 30674-80-7 ]
  • [ 77545-45-0 ]
  • [ 110-73-6 ]
  • C68H76N6O16S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% 56 g of 2-propanol and 2.9 g of diethylamine were added to 8.1 g of 3?,6?-dichlorospiro[3H-2,1-benzoxathiol-3,9?-[9H]xanthene]-1,1-dioxide, and the mixture was stirred at ambient temperature for 3 hours. A precipitate was obtained by using ether and dried to obtain Intermediate 1. 0.5 equivalent of N,N?-dimethyl-1,6-hexanediamine and water were added to Intermediate 1 and then, reacted therewith at 80 C. for one day to obtain the compound represented by Chemical Formula 7 with a total yield of 47%. The compound represented by Chemical Formula 13 was obtained by reacting the compound obtained according to the same method as Synthesis Example 1 with isocyanatoethyl methacrylate in a chloroform solvent except for using 2-(ethylamino)ethanol instead of diethylamine as a starting material.
(1) 56g 2-propanol and 2.9g to 8.1g of 3 ', 6'-Dichlorospiro [3H-2,1-benzoxathiol-3,9'-[9H] xanthene] -1,1-dioxideAdd 2- (ethylamino) ethanol and stir at room temperature for 3 hours. Precipitation is obtained using ether followed by drying to obtain the intermediate. 0.5 equivalent of N, N'-Dimethyl-1,6-hexanediamine and water were added to the obtained intermediate and reacted at 80 C. for one day to obtain an intermediate product.(2) The intermediate product was reacted with isocyanatoethyl methacrylate in chloroform solvent to obtain a compound represented by the following Chemical Formula E-1.
  • 3
  • [ 13093-04-4 ]
  • [ 77545-45-0 ]
  • [ 109-89-7 ]
  • C54H58N4O8S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% 56 g of 2-propanol and 2.9 g of diethylamine were added to 8.1 g of 3?,6?-dichlorospiro[3H-2,1-benzoxathiol-3,9?-[9H]xanthene]-1,1-dioxide, and the mixture was stirred at ambient temperature for 3 hours. A precipitate was obtained by using ether and dried to obtain Intermediate 1. 0.5 equivalent of N,N?-dimethyl-1,6-hexanediamine and water were added to Intermediate 1 and then, reacted therewith at 80 C. for one day to obtain the compound represented by Chemical Formula 7 with a total yield of 47%. MALDI-TOF MS: 954 m/z
 

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