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Chemical Structure| 404011-08-1 Chemical Structure| 404011-08-1

Structure of 404011-08-1

Chemical Structure| 404011-08-1

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Product Details of [ 404011-08-1 ]

CAS No. :404011-08-1
Formula : C12H15NO4
M.W : 237.25
SMILES Code : CC(C1=C(O)C=C(N2CCOCC2)C=C1O)=O
MDL No. :N/A

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Application In Synthesis of [ 404011-08-1 ]

* 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 [ 404011-08-1 ]

[ 404011-08-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 110-91-8 ]
  • [ 52409-22-0 ]
  • trifluoromethanesulfonic acid 4-acetyl-3,5-dihydroxy-phenyl ester [ No CAS ]
  • [ 224311-51-7 ]
  • [ 404011-08-1 ]
YieldReaction ConditionsOperation in experiment
475 mg (60%) With potassium phosphate; In tetrahydrofuran; EXAMPLE 144 1-(2,6-Dihydroxy-4-morpholin-4-yl-phenyl)-ethanone A solution of trifluoromethanesulfonic acid 4-acetyl-3,5-dihydroxy-phenyl ester (1.0 g, 3.33 mmol), morpholine (0.35 mL, 3.99 mmol), tris-(dibenzylideneacetone)dipalladium(0) (153 mg, 0.167 mmol), <strong>[224311-51-7]biphenyl-2-yl-di-tert-butyl-phosphane</strong> (198 mg, 0.666 mmol), and K3PO4 (1.41 mg, 6.66 mmol) in THF (2 mL) was heated to 85° C. in a sealed tube for 2 h. The reaction mixture was allowed to cool to room temperature, and filtered through a 3/4" silica gel (60 A) plug. The plug was washed with EtOAc (75 mL) and the filtrate concentrated. The concentrate was purified via Biotage chromatography with gradient elution from 100percent hexanes to 40percent EtOAc/hexanes to yield 475 mg (60percent) of 1-(2,6-dihydroxy-4-morpholin-4-yl-phenyl)-ethanone. Rf=0.16 (50percent EtOAc/hexanes). 1H NMR (CDCl3, 400 MHz) delta7.26 (s, 2H), 5.82 (s, 2H), 3.79 (c, 4H), 3.26 (m, 4H), 2.65 (s, 3H). LRMS (Electrospray, positive): Da/e 238.3 (m+1).
 

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