反応 #166175

ord-8abc60f3d4bd49a891f525287bc03d17

反応条件

温度
100°CELSIUS
詳細条件
See reaction.notes.procedure_details.

後処理

  1. 1
    その他In a nitrogen-atmosphere glovebox, a microwave vial equipped with a magnetic stir bar
  2. 2
    その他The vial was sealed with a crimp top
  3. 3
    その他the vial was removed from the heating block
  4. 4
    温度cooled to room temperature
  5. 5
    その他reaction
  6. 6
    ろ過filtering into a round-bottom flask
  7. 7
    洗浄The vial was rinsed with CH2Cl2 (5 mL)
  8. 8
    洗浄by washing of the filter cake with CH2Cl2 (2 mL)
  9. 9
    その他The volatiles were removed on a rotary evaporator
  10. 10
    濃縮the crude concentrate
  11. 11
    その他was purified by silica gel column chromatography (25 g silica gel, 85:15 heptane:ethyl acetate)
  12. 12
    その他The purified product was isolated as a beige solid

実験手順

In a nitrogen-atmosphere glovebox, a microwave vial equipped with a magnetic stir bar was charged with sodium tert-butoxide (56.9 mg, 0.592 mmol, 1.5 equivalents), tris(dibenzylideneacetone)dipalladium(0) (Pd2dba3) (3.62 mg, 0.00395 mmol, 0.01 equivalents), phosphine ligand (0.00869 mmol, 0.022 equivalents) and dioxane (0.79 mL). To the slurry was added 4-chlorotoluene (47 μL, 0.395 mmol, 1 equivalents) and morpholine (42 μL, 0.474 mmol, 1.2 equivalents). The vial was sealed with a crimp top and stirred at 100° C. After 14 hours, the vial was removed from the heating block, cooled to room temperature and brought out of the glovebox. To assay the crude reaction, an aliquot (7 μL) was taken and diluted in acetonitrile (1.5 mL), then injected onto an HPLC instrument. For isolation purposes, the reaction solution was worked up by diluting with CH2Cl2 (2 mL) and filtering into a round-bottom flask. The vial was rinsed with CH2Cl2 (5 mL), followed by washing of the filter cake with CH2Cl2 (2 mL). The volatiles were removed on a rotary evaporator and the crude concentrate was purified by silica gel column chromatography (25 g silica gel, 85:15 heptane:ethyl acetate). The purified product was isolated as a beige solid. 1H NMR (400 MHz, CDCl3) δ ppm 7.10 (d, J=8.2 Hz, 1H), 6.88-6.81 (m, 2H), 3.87 (dd, J=5.7, 3.9 Hz, 4H), 3.15-3.09 (m, 4H), 2.29 (s, 3H).

出典

DOI: 10.6084/m9.figshare.5104873.v1特許: US08841487B2uspto-grants-2014_09