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Chemical Structure| 796738-71-1 Chemical Structure| 796738-71-1

Structure of 796738-71-1

Chemical Structure| 796738-71-1

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Product Details of [ 796738-71-1 ]

CAS No. :796738-71-1
Formula : C16H13N5O2
M.W : 307.31
SMILES Code : O=[N+](C1=CC=C(NC2=NC=CC(C3=CC=CN=C3)=N2)C(C)=C1)[O-]
MDL No. :MFCD11869876

Safety of [ 796738-71-1 ]

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 [ 796738-71-1 ]

* 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 [ 796738-71-1 ]

[ 796738-71-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 99-52-5 ]
  • [ 483324-01-2 ]
  • [ 796738-71-1 ]
YieldReaction ConditionsOperation in experiment
62% With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100℃; for 4h;Inert atmosphere; To a solution under nitrogen gas of <strong>[483324-01-2]4-(pyridin-3-yl)-2-chloropyrimidine</strong> (200 mg, 1.047 mmol) in 1,4-dioxane (10 ml) were added 2-methyl-4-nitroaniline (159 mg, 1.047mmol) and cesium carbonate (682 mg, 2.094 mmol). The resulting mixture was degassed 30 min with Argon gas, then Xantphos (61mg, 0.1047 mmol) and Pd2(dba) 3 (96 mg, 0.1047 mmol) were added and the reaction mixture was stirred at 100C for 4 hours. The reaction mixture was then cooled to room temperature, filtered and concentrated under reduced pressure. The residue was partitioned between brine and AcOEt and the aqueous layer was extracted with AcOEt. The combined organic layers were dried over Na2SO4, filtered and concentrated under reduced pressure to give a brown oil. The crude compound was purified by flash chromatography using (silica-gel: 100-200 mesh, AcOEt -petroleum ether; 70%) to give 0.2 g (yield 62%) of a pale yellow solid corresponding to N-(2-methyl-4-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine. Mass: (ES+) C16H13N5O2 required 307.11; found 308.1 [M+H], method 8.
  • 2
  • [ 7149-70-4 ]
  • [ 66521-66-2 ]
  • [ 796738-71-1 ]
 

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