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Chemical Structure| 845866-78-6 Chemical Structure| 845866-78-6

Structure of 845866-78-6

Chemical Structure| 845866-78-6

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Product Details of [ 845866-78-6 ]

CAS No. :845866-78-6
Formula : C7H3BrF3IO
M.W : 366.90
SMILES Code : FC(F)(F)OC1=CC(I)=CC(Br)=C1
MDL No. :MFCD06657955
InChI Key :SJEYHNDEVIRTLB-UHFFFAOYSA-N
Pubchem ID :2761169

Safety of [ 845866-78-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 845866-78-6 ]

* 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 [ 845866-78-6 ]

[ 845866-78-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 56622-54-9 ]
  • [ 845866-78-6 ]
  • [ 13939-06-5 ]
  • [ 1186519-07-2 ]
YieldReaction ConditionsOperation in experiment
With 1,8-diazabicyclo[5.4.0]undec-7-ene;palladium diacetate; In 1,4-dioxane; at 120℃; for 0.333333h;Sealed tube; Microwave irradiation; A 5 mL microwave vial was charged with l-bromo-3-iodo-5-(trifluoromethoxy)benzene(98 mg, 0.27 mmol), <strong>[56622-54-9](6-methylpyridin-3-yl)methanamine</strong> (50 mg, 0.41 mmol), molybdenum hexacarbonyl (160 mg, 0.61 mmol), palladium acetate (8 mg, 0.036 mmol), l,8-diazabicyclo[5.4.0]undec- 7-ene (120 mg, 0.79 mmol), and 1,4-dioxane (2 mL). The vial was sealed under nitrogen and the reaction was subjected to microwave irradiation at 120 0C for 20 minutes. After cooling, the mixture was purified via flash chromatography to afford the desired product as a white solid. LC-MS: 391.2 [M+l]+; 1H NMR (CDCl3, 400 MHz): 8.43 (d, J = 2.1 Hz, IH), 7.85 (t, J = 1.5 Hz, IH), 7.63-7.61 (m, 2H), 7.52 (s, IH), 7.16 (d, J = 8.0 Hz, IH), 6.74 (br, IH), 4.60 (d, J = 5.8 Hz, 2H), 2.55 (s, 3H).
  • 2
  • [ 56622-54-9 ]
  • [ 845866-78-6 ]
  • [ 1186516-68-6 ]
 

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