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Chemical Structure| 917392-54-2 Chemical Structure| 917392-54-2

Structure of 917392-54-2

Chemical Structure| 917392-54-2

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Product Details of [ 917392-54-2 ]

CAS No. :917392-54-2
Formula : C18H16N4O2
M.W : 320.35
SMILES Code : O=C(OC)C1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1
MDL No. :MFCD16619370
InChI Key :BECBKQYLJDEVDN-UHFFFAOYSA-N
Pubchem ID :17748019

Safety of [ 917392-54-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 917392-54-2 ]

* 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 [ 917392-54-2 ]

[ 917392-54-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 90347-66-3 ]
  • [ 66521-66-2 ]
  • [ 917392-54-2 ]
  • 2
  • [ 104901-43-1 ]
  • [ 66521-66-2 ]
  • [ 917392-54-2 ]
YieldReaction ConditionsOperation in experiment
81% With chloro[2-(dicyclohexylphosphino)-3,6-dimethoxy-2?,4?,6?-tri-1-propyl-1,1?-biphenyl][2-(2-aminoethyl)phenyl]palladium(II); caesium carbonate; In 1,4-dioxane; at 120℃; for 1.5h;Inert atmosphere; To a solution of <strong>[66521-66-2]4-(pyridin-3-yl)pyrimidin-2-amine</strong> (2 g, 11.62 mmol, 1.00 equiv) and methyl 3-bromo-4-methylbenzoate (2.92 g, 12.75 mmol, 1.10 equiv) in dioxane (20 mL) were added CS2CO3 (5.3 g, 16.27 mmol, 1.40 equiv) and BrettPhos precatalyst (32 mg, 0.04 mmol, 0.03 equiv). The flask was evacuated and flushed three times with nitrogen. The resulting solution was stirred for 1.5 h at 120 °C. The reaction mixture was cooled to 20 °C. The resulting solution was diluted with EtOAc (50 mL). The solids were filtered out. The filtrate was washed with brine (3 x 30 mL). The mixture was dried over anhydrous sodium sulfate and concentrated under vacuum. The residue was washed with ethyl acetate/petroleum ether (1 :3). The solid was collected by filtration to afford 3.0 g (81percent) of methyl 4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate as an off-white solid. NMR (400 MHz, CDCh) delta: 9.33-9.34 (m, 1H), 9.03-9.04 (m, 1H), 8.75-8.77 (m, 1H), 8.59-8.45 (m, 2H), 7.74-7.77 (m, 1H), 7.46-7.50 (m, 1H), 7.35-7.23 (m, 1H), 7.11 (s, 1H), 3.98 (s, 3H), 2.44 (s, 3H).
 

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