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Chemical Structure| 2305-87-5 Chemical Structure| 2305-87-5

Structure of 2305-87-5

Chemical Structure| 2305-87-5

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Product Details of [ 2305-87-5 ]

CAS No. :2305-87-5
Formula : C10H9N3
M.W : 171.20
SMILES Code : NC1=NC=CC(C2=CC=CC=C2)=N1
MDL No. :MFCD00094706
InChI Key :DMEGQEWPMXDRMO-UHFFFAOYSA-N
Pubchem ID :598777

Safety of [ 2305-87-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H319
Precautionary Statements:P305+P351+P338

Application In Synthesis of [ 2305-87-5 ]

* 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 [ 2305-87-5 ]

[ 2305-87-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 2305-87-5 ]
  • [ 10102-94-0 ]
  • 1-methyl-5-((4-phenylpyrimidin-2-yl)amino)-1H-indole-3-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
64% With copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 80℃; for 20h;Inert atmosphere; General procedure: The pyrimidine amine 6 (1.1 mmol), CuI (1.0 mmol) and anhydrous Cs2CO3 (2.0 mmol) were added to a round bottom flask alongwith magnetic stirbar and closed well with a septum. The flask was evacuated and back filled with nitrogen gas three times. Dioxane (15 ml), aryl halide 3 (1.0 mmol) and DMEDA (1.0 mmol) were added by syringe at room temperature. The reaction mixture was stirred at 80C for 20 h under nitrogen atmosphere and then cooled to room temperature. Concentrated ammonia (4 ml) was added, and the mixture was extracted with ethyl acetate (3x20 ml). The combined organic layer was concentrated in vacuo, and the residue was purified by column chromatography on silica gel. 1-methyl-5-((4-phenylpyrimidin-2-yl)amino)-1H-indole-3-carbaldehyde (7a) Light brown solid;Yield: 64%; mp 191-193 C; IR (KBr) numax 3246,2924, 1654, 1560, 1407, 1115, 805, 758, 727, 678, 628; 1H NMR (DMSO-d6, 300 MHz) delta 9.98 (s, 1H),8.99 (m, 2H), 8.49 (d, J = 5.10 Hz,1H), 8.26 (d, J = 6.61 Hz, 2H), 7.83(s, 1H), 7.66 (dd, J = 2.08, 8.88 Hz,1H), 7.57 (m, 3H), 7.37 (d, J = 8.69Hz, 1H), 7.20 (d, J = 5.10 Hz, 1H),3.90 (s, 3H); 13C NMR (DMSO-d6, 75 MHz) delta182.23, 162.28, 159.02,157.13, 139.13, 135.39, 134.75, 132.05, 129.03, 127.21, 125.64, 123.63, 115.94,115.74, 109.78, 108.55, 105.68, 32.03; TOF-HRMS (m/z) for C20H16N4O, calculated329.1397, observed 329.1388 [M+1] +
  • 2
  • [ 2305-87-5 ]
  • [ 10102-94-0 ]
  • (E)-3-((1-methyl-5-((4-phenylpyrimidin-2-yl)amino)-1H-indol-3-yl)methylene)indolin-2-one [ No CAS ]
 

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