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Chemical Structure| 182676-39-7 Chemical Structure| 182676-39-7

Structure of 182676-39-7

Chemical Structure| 182676-39-7

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Product Details of [ 182676-39-7 ]

CAS No. :182676-39-7
Formula : C13H6BrF5O
M.W : 353.08
SMILES Code : FC1=C(F)C(F)=CC(OC(F)(C2=CC=C(Br)C=C2)F)=C1
MDL No. :N/A

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Application In Synthesis of [ 182676-39-7 ]

* 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 [ 182676-39-7 ]

[ 182676-39-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 182676-39-7 ]
  • [ 212386-71-5 ]
  • C21H13F7O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
67% With tetrakis(triphenylphosphine) palladium(0); Solmix A-11; tetrabutylammomium bromide; potassium carbonate; In water; toluene; for 3h;Inert atmosphere; Reflux; Synthesis of compound (No. 1-2-19)First stepUnder a nitrogen atmosphere, compound (T-6) (10.0 g), compound (T-8) (6.86 g), tetrakis(triphenylphosphine)palladium (0.330 g), potassium carbonate (7.83 g), TBAB (1.83 g), toluene (70.0 mL), Solmix (registered trade name) A-11 (70.0 mL) and water (70.0 mL) were put in a reaction vessel, and the resulting mixture was heated under reflux for 3 hours. The resulting reaction mixture was poured into water, and the resulting aqueous layer was subjected to extraction with toluene. Organic layers combined were washed with water, and dried over anhydrous magnesium sulfate. The resulting solution was concentrated under reduced pressure, and the residue was purified by silica gel chromatography (heptane : toluene = 2 : 1 in a volume ratio). The resulting product was further purified by recrystallization from a mixed solvent of heptane and toluene (1 : 1 in a volume ratio) to give compound (No. 1-2-19) (8.14 g; 67%).Chemical shifts 5 (ppm; CDCl3): 7.75 (d, J = 8.4 Hz, 2H), 7.62 (d, J = 7.6 Hz, 2H), 7.15 - 7.09 (m, 1H), 7.02 - 6.94 (m, 2H), 6.87 - 6.80 (m, 1H), 4.18 (q, J = 7.0 Hz, 2H), 1.50 (t, J = 7.1 Hz, 3H).Physical properties of compound (No. 1-2-19) were as described below. In addition, for measurement of maximum temperature, optical anisotropy, dielectric anisotropy, a dielectric constant in a minor axis direction and viscosity, a sample in which a ratio of the compound to the base liquid crystal was (5% by weight : 95% by weight) was used.Transition temperature: C 101 I.Maximum temperature (TNI) =33.7C; optical anisotropy (An) = 0.157; dielectric anisotropy (Deltaepsilon) = 21.9; dielectric constant in minor axis direction (epsilon?) = 8.5; and viscosity (eta) = 55.5 mPa·s.
 

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