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Chemical Structure| 1454300-91-4 Chemical Structure| 1454300-91-4

Structure of 1454300-91-4

Chemical Structure| 1454300-91-4

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Product Details of [ 1454300-91-4 ]

CAS No. :1454300-91-4
Formula : C14H16BF3N2O2
M.W : 312.10
SMILES Code : FC(C1=CC2=C(C(B3OC(C)(C)C(C)(C)O3)=C1)C=NN2)(F)F
MDL No. :MFCD27987842

Safety of [ 1454300-91-4 ]

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 [ 1454300-91-4 ]

* 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 [ 1454300-91-4 ]

[ 1454300-91-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1000342-95-9 ]
  • [ 73183-34-3 ]
  • [ 1454300-91-4 ]
YieldReaction ConditionsOperation in experiment
72% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In dimethyl sulfoxide; at 100℃; for 2h;Microwave irradiation; Sealed tube; PREPARATION xl : 4-(4,4,5,5-tetramethyl-l ,3,2-dioxaborolan-2-yl)-6- (trifluoromethyl)- 1 H-indazole [0142] A mixture of 4-bromo-6-(trifluoromethyl)-lH-indazole (0.5 g, 1.887 mmol), bis(pinacolato)diboron (0.958 g, 3.77 mmol), PdCl2(dppf) (0.028 g, 0.038 mmol), and potassium acetate (0.741 g, 7.55 mmol) in DMSO (10 mL) was charged to a microwave vial, which was sealed and heated at 100°C in an oil bath for 13 hours. LCMS indicated the presence of bromide starting material, so the reaction mixture was heated for an additional 7 hours, after which LCMS showed the bromide starting material had been consumed. The reaction mixture was combined with product from an earlier run, and was subsequently partitioned between ethyl acetate (30 mL) and aqueous saturated NH4CI (30 mL). The organic phase was washed sequentially with aqueous saturated NH4C1 (30 mL) and brine (30 mL) and was dried over anhydrous sodium sulfate. The solvents were removed in vacuo, and the resulting dark brown residue was purified by silica gel chromatography (Moritex size 60 silica gel column) eluting with a gradient of 5-30percent ethyl acetate in hexanes to give the title compound as a pale yellow solid (468 mg, 72percent for two runs). ESI-MS m/z [M+H]+ calc'd for Ci4Hi6BF3N202, 313.1; found 313.2.
 

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