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Chemical Structure| 5285-90-5 Chemical Structure| 5285-90-5

Structure of 5285-90-5

Chemical Structure| 5285-90-5

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Product Details of [ 5285-90-5 ]

CAS No. :5285-90-5
Formula : C8H7NOS
M.W : 165.21
SMILES Code : N#CSC1=CC=C(OC)C=C1
MDL No. :MFCD03762840

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Application In Synthesis of [ 5285-90-5 ]

* 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 [ 5285-90-5 ]

[ 5285-90-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 422-64-0 ]
  • [ 5285-90-5 ]
  • 1-methoxy-4-[(pentafluoroethyl)thio]benzene [ No CAS ]
YieldReaction ConditionsOperation in experiment
97% General procedure: Synthesis of potassium carboxylates. Potassium tert-butoxid (1.0 eq.) was dissolved in ethanol (4 M) and the corresponding acid (1 eq.) was added dropwise, either pure for liquid acids or dissolved in a small amount of ethanol for solid ones. After stirring the solution for 1 h, the solvent was removed under reduced pressure (50 mbar, 40 °C) and diethyl ether (50 mL) was added. The solid was filtered off, washed with diethyl ether (3 × 20 mL) and dried under vacuum. Standard procedure: An oven-dried 20 mL crimp-cap vessel with stir bar was chargedwith the potassium carboxylate (2.40 mmol), the aryl thiocyanate (2.00 mmol), iron(III)chloride (97.3 mg, 0.60 mmol) and DMF (6 mL). The reaction mixture was stirred for16 h at 140 °C. To prevent the crimp cap from flying off, the upper half of the vesselwas cooled with water and the evolving CO2 pressure was released through a bubbler.After the reaction, the mixture was diluted with diethyl ether (20 mL), and subsequentlywashed with 20percent (m/m) aq. LiCl solution (20 mL), water (20 mL) and brine (20 mL).The organic layer was dried over MgSO4, filtered and concentrated (700 mbar, 40 °C).The residue was purified by flash chromatography (SiO2, cyclohexane/ethyl acetategradient), yielding the aryl pentafluoroethyl thioethers. The yields of particularly volatilecompounds were determined by 19F NMR, and their identity by mass spectroscopy.
 

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