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Chemical Structure| 151276-15-2 Chemical Structure| 151276-15-2

Structure of 151276-15-2

Chemical Structure| 151276-15-2

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Product Details of [ 151276-15-2 ]

CAS No. :151276-15-2
Formula : C8H8F3NO
M.W : 191.15
SMILES Code : NC1=CC(C)=CC=C1OC(F)(F)F
MDL No. :MFCD18399696
InChI Key :INWQECYURRPKAN-UHFFFAOYSA-N
Pubchem ID :21997062

Safety of [ 151276-15-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 151276-15-2 ]

* 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 [ 151276-15-2 ]

[ 151276-15-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 886762-08-9 ]
  • [ 13061-96-6 ]
  • [ 151276-15-2 ]
YieldReaction ConditionsOperation in experiment
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; at 80℃; Step 2: 5-methyl-2-(trifluoromethoxy) aniline 5-bromo-2-(trifluoromethoxy) aniline (1.14g, 4.46mmol) obtained from the last step, methyl boronic acid (0.72g, 12mmol), potassium carbonate (1.66g, 12mmmol), [1,1'-bis (diphenylphosphino) ferrocene] dichloropalladium (0.29g, 0.4mmol) and 1,4-dioxane (25mL) were added to a 100mL reaction flask. The reaction mixture was heated up to 80 C and stirred overnight. After completion of the reaction, the reaction solution was concentrated and dissolved in ethyl acetate. The organic phase was washed with saturated ammonium chloride and saturated brine, dried, concentrated and purified by column chromatography (ethyl acetate/petroleum ether=1:15) to obtain the title compound (yellow oil, 0.61g, 72%). (MS: [M+1] 192.1)
  • 2
  • [ 886762-08-9 ]
  • [ 823-96-1 ]
  • [ 151276-15-2 ]
YieldReaction ConditionsOperation in experiment
74% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; at 100℃; for 1h; A mixture of <strong>[886762-08-9]5-bromo-2-(trifluoromethoxy)aniline</strong> (2 g, 7.8 mmol), K2CO3 (2.7 g, 19.5 mmol), and 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (50% in THF, 4.4 mL, 15.6 mmol) in dioxane (60 mL) was degassed for 20 min with N2. PdCl2(dppf)- CH2Cl2 (319 mg, 0.39 mmol) was added and the mixture was further degassed for 10 min then heated to 100 oC for 1 h. The reaction mixture was cooled to rt, filtered through a pad of celite, concentrated, and purified by chromatography (EA/hexane) to provide 1.49 g (74%) of Intermediate 44A. LCMS [m/z] calculated for C8H8F3NO: 191.1 found 192.2[M+H]+, tR=4.22 min (Method 4).
 

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