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Chemical Structure| 442526-91-2 Chemical Structure| 442526-91-2

Structure of 442526-91-2

Chemical Structure| 442526-91-2

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Product Details of [ 442526-91-2 ]

CAS No. :442526-91-2
Formula : C24H23F3N4O5
M.W : 504.46
SMILES Code : O=C(C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(C=C(F)C(N4CC(OC(C(C)C)=O)C4)=C3)C1=O)OCC
MDL No. :MFCD28502536

Safety of [ 442526-91-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 442526-91-2 ]

* 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 [ 442526-91-2 ]

[ 442526-91-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 247069-27-8 ]
  • [ 18621-18-6 ]
  • [ 101799-75-1 ]
  • [ 77-92-9 ]
  • [ 442526-91-2 ]
YieldReaction ConditionsOperation in experiment
93.58% Ethyl 2,4,5-trifluorobenzoylacetate (20.0 g, 0.081 mol) was added to a 250 mL reaction flask.Triethylorthoformate (21.6 mL, 0.130 mol), acetic anhydride (32.5 mL, 0.344 mol), stirring,Heating was started and the temperature of the feed was raised to 130 C. for 4.0 hours.After the reaction was completed, the solvent was distilled off under reduced pressure to obtain an oily liquid.Add 70 mL of N-methylpyrrolidone to make the oily liquidThe solution was dissolved, <strong>[247069-27-8]3,5-difluoro-2,6-diaminopyridine</strong> (13.8 g, 0.095 mol) was added, and the feed solution was warmed to 50C.Stir and stir for 1.5h. After the addition of anhydrous lithium chloride (6.12 g, 0.146 mol), DBU (11.37 g, 0.075 mol) was added, and the reaction temperature was controlled at 35 C. for 2.0 h.3-Hydroxyazetidine hydrochloride (8.45 g, 0.077 mol) was added, DBU (26.82 g, 0.176 mol) was slowly added, and the temperature was 35 C. for 2.5 h.After the reaction is complete, transfer to a 500 mL reaction flask and add 25 mL of ethyl acetate.Slowly add 145 mL of 10% citric acid solution.After the addition was completed, the temperature was adjusted to 20C, and the crystals were crystallized for 4.0 hours. The crystals were collected, and the mixture was collected by suction filtration. The cake was collected and dried in an oven at 60C to obtain 38.35 g of the intermediate I. The yield was 93.58%.
 

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