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Chemical Structure| 761440-08-8 Chemical Structure| 761440-08-8

Structure of 761440-08-8

Chemical Structure| 761440-08-8

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Product Details of [ 761440-08-8 ]

CAS No. :761440-08-8
Formula : C12H10Cl2N4O
M.W : 297.14
SMILES Code : O=C(NC)C1=CC=CC=C1NC2=NC(Cl)=NC=C2Cl
MDL No. :MFCD22581595

Safety of [ 761440-08-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 761440-08-8 ]

* 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 [ 761440-08-8 ]

[ 761440-08-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 761440-08-8 ]
  • [ 393-49-7 ]
  • [ 1346448-03-0 ]
YieldReaction ConditionsOperation in experiment
40.5% With caesium carbonate;palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; at 80℃; for 0.416667h;microwave irradiation; Example 13: Synthesis of Compound XIII- 11; Step 1: Synthesis of 2-((5-chloro-2-((5-nitro-2-(trifluoromethyI)phenyl)aminopyrimidin-4- yl)amino)-N-methylbenzamide (3); 5-Nitro-2-(trifluoromethyl)aniline (2, 0.1 g, 0.4851 mmol), 2-((2,5-dichloropyrimidin-4- yl)amino)-N-methylbenzamide (1, 0.144 g, 0.4851 mmol), palladium acetate (0.054 g, 0.2425 mmol), Xantphos (0.084 g, 0.1455 mmol) and cesium carbonate (0.474 g, 1.455 mmol) were taken in dry THF (5 mL). Reaction mixture was irradiated under microwave condition at 80 C for 25 min. Reaction was monitored by TLC and LCMS. After completion of the reaction, brine solution was added, extracted with ethyl acetate. Organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure. Crude product was purified by column chromatography using 2% MeOH:DCM to afford 2-((5- chloro-2-((5-nitro-2-(trifluoromethyl)phenyl) amino) pyrimidin-4-yl)amino)-N-methylbenzamide (3, 0.1 1 1 g, 40.5%). NMR (400 MHz, CDCI3): δ 1 1.20 (s, 1 H), 9.20 (s, 1 H), 8.40-8.35 (d, 1 H), 8.20 (s, I H), 7.90-7.85 (d, I H), 7.80-7.00 (d, I H), 7.50-7.45 (d, I H), 7.40-7.35 (s, I H), 7.34-7.30 (t, I H), 7.10- 7.00 (t, I H), 6.20 (bs, I H), 3.00 (d, 3H).
 

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