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Chemical Structure| 1112985-71-3 Chemical Structure| 1112985-71-3

Structure of 1112985-71-3

Chemical Structure| 1112985-71-3

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Product Details of [ 1112985-71-3 ]

CAS No. :1112985-71-3
Formula : C10H7F3N2O
M.W : 228.17
SMILES Code : O=C1NC(C)=NC2=C1C=CC=C2C(F)(F)F
MDL No. :MFCD29921051

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Application In Synthesis of [ 1112985-71-3 ]

* 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 [ 1112985-71-3 ]

[ 1112985-71-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1112985-72-4 ]
  • [ 89694-46-2 ]
  • [ 1112985-71-3 ]
  • [ 1112985-74-6 ]
YieldReaction ConditionsOperation in experiment
With potassium phosphate;tetrakis(triphenylphosphine) palladium(0); In 1,4-dioxane; at 100℃; for 2h; Step 4: 4-(2-chloro-5-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline A mixture of 2-methyl-8-(trifluoromethyl)quinazolin-4-yl trifluoromethanesulfonate (2.7 g, 7.5 mmol), <strong>[89694-46-2]2-chloro-5-methoxyphenylboronic acid</strong> (1.6 g, 9.4 mmol), K3PO4 (4.0 g, 18.8 mmol) and Pd(PPh3)4 (433 mg, 0.4 mmol) in dioxane (25 mL) was heated at 100° C. for 2 h. The mixture was poured into a mixture of EtOAc (100 mL) and water (70 mL) and the layers were separated. The organic layer was washed with NaHCO3 (2*50 mL), water (50 mL), and brine (70 mL). The solution was concentrated and the residue was redissolved in ~15 mL of DCM. The solution was filtered (900 mg of 2-methyl-8-(trifluoromethyl)quinazolin-4(3H)-one was recovered) and the supernatent was added to a column of SiO2 which was eluted with a gradient of 0:100 to 20:80 EtOAc:Hex. The product was isolated as a white foam. MS (ES) m/z 352.9; HRMS: calcd for C17H12ClF3N2O+H+, 353.06630; found (ESI, [M+H]+ Obs'd), 353.0668.
 

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