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Chemical Structure| 1246213-40-0 Chemical Structure| 1246213-40-0

Structure of 1246213-40-0

Chemical Structure| 1246213-40-0

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Product Details of [ 1246213-40-0 ]

CAS No. :1246213-40-0
Formula : C14H19NO2
M.W : 233.31
SMILES Code : O=C1OC2=CC(N)=C(C(C)(C)C)C=C2C1(C)C
MDL No. :MFCD24038793

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Application In Synthesis of [ 1246213-40-0 ]

* 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 [ 1246213-40-0 ]

[ 1246213-40-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1246213-40-0 ]
  • [ 13721-01-2 ]
  • N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
A suspension of HATU ( 17.6 g, 46.3 mol) and compound 26 (8.36 g, 44.2 mmol) in anhydrous acetonitrile (1 L) was stirred at room temperature for 1 hour. Compound 20 (3.40 g, 14.6 mmol) was added to the suspension, and then DIEA (11.5 g, 89.0 mmol) was added dropwise. The mixture was stirred at 45 0C for 4 days. The resulting precipitate was filtered and thoroughly washed with DCM. The filtrate was concentrated to dryness and the residue was dissolved in DCM (200 mL) and washed with IN HCl (200 mLx2) followed by 5percent aqueous NaHCO3 (200 mLx3) and then brine (200 mLxl). The mixture was then dried over Na2SO4 and concentrated in vacuo. The residue was purified via column chromatography on silica gel (CH2ClVMeOH 100: 1 - >;50: l) to give compound 21 as a light yellow solid. 1H-NMR (400MHZ, DMSCM6) delta 12.96 (d J 6.4 Hz, IH); 12.1 (s, IH); 8.9 (d,76.4Hz, IH); 8.33 (d, 78Hz, IH); 7.84-7.75 (m, 2H); 7.55-7.48 (m, 3H); 1.47 (s, 6H); 1.45(s, 9H).
  • 2
  • [ 1246213-40-0 ]
  • [ 13721-01-2 ]
  • [ 1246213-41-1 ]
YieldReaction ConditionsOperation in experiment
A suspension of HATU (17.6 g, 46.3 mol) and compound 26 (8.36 g, 44.2 mmol) in anhydrous acetonitrile (1 L) was stirred at room temperature for 1 hour. Compound 20 (3.40 g, 14.6 mmol) was added to the suspension, and then DIEA (11.5 g, 89.0 mmol) was added dropwise. The mixture was stirred at 45 0C for 4 days. The resulting precipitate was filtered and thoroughly washed with DCM. The filtrate was concentrated to dryness and the residue was dissolved in DCM (200 mL) and washed with IN HCl (200 mLx2) followed by 5percent aqueous NaHCO3 (200 mLx3) and then brine (200 mLxl). The mixture was then dried over Na2SO4 and concentrated in vacuo. The residue was purified via column chromatography on silica gel (CH2Cl2/Me0H 100:l-->50:l) to give compound 21 as a light yellow solid. 1H-NMR (400MHZ, OMSO-d6) delta 12.96 (d J 6.4 Hz, IH); 12.1 (s, IH); 8.9 (d,76.4Hz, IH); 8.33 (d, / 8Hz, IH); 7.84-7.75 (m, 2H); 7.55-7.48 (m, 3H); 1.47 (s, 6H); 1.45(s, 9H).
 

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