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Chemical Structure| 105685-36-7 Chemical Structure| 105685-36-7

Structure of 105685-36-7

Chemical Structure| 105685-36-7

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Product Details of [ 105685-36-7 ]

CAS No. :105685-36-7
Formula : C12H15N3O2
M.W : 233.27
SMILES Code : O=C1COC2=C(N3CCNCC3)C=CC=C2N1
MDL No. :MFCD10007728

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Application In Synthesis of [ 105685-36-7 ]

* 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 [ 105685-36-7 ]

[ 105685-36-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 129722-34-5 ]
  • [ 105685-36-7 ]
  • [ 1354030-73-1 ]
YieldReaction ConditionsOperation in experiment
34% Compound 38:[0210] A mixture of intermediate 4 (110 mg, 0.37 mmol) and Nal (110 mg, 0.74 mmol) in CH3CN was heated to reflux for 30 min and then cooled to rt. Intermediate 59 (118 mg, 0.5 mmol) and anhydrous K2C03 (138 mg, 1.92 mmol) were added to the mixture. The resulting mixture was heated to reflux and stirred for 4 h. Precipitated crystals were filtered off and the filtrate was evaporated under reduced pressure. The residue was extracted with EtOAc. The combined EtOAc layers were washed with brine, dried over anhydrous Na2S04, concentrated in vacuo and purified by flash chromatography on silica gel column (elution with DCM/MeOH = 30:1) to give 8-(4-(4-(2-oxo- 1,2,3, 4-tetrahydroquinolin-7-yloxy)butyl)piperazin-l-yl)-2H- benzo[b][l,4]oxazin-3(4H)-one (compound 38) (55 mg, 34percent). ]H NMR (300 MHz, CDC13): delta 10.56 (s, 1H), 9.96 (s, 1H), 7.04 (d, J= 8.4 Hz, 1H), 6.85 (t, 1H), 6.57-6.43 (m, 4H), 4.53 (s, 2H), 3.92 (t, J = 5.7 Hz, 2H), 2.97 (br, 4H), 2.78 (t, J= 6.9 Hz, 2H), 2.43-2.38 (m, 4H), 1.72-1.58 (m, 4H). HPLC: 99percent, RT 1.970 min. MS (ESI) m/z 451.0 [M + H]+.
 

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