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Chemical Structure| 1221931-26-5 Chemical Structure| 1221931-26-5

Structure of 1221931-26-5

Chemical Structure| 1221931-26-5

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Product Details of [ 1221931-26-5 ]

CAS No. :1221931-26-5
Formula : C12H18ClNO2
M.W : 243.73
SMILES Code : O=C(OC(C)(C)C)C1=CC=CC(CN)=C1.[H]Cl
MDL No. :MFCD23701947

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Application In Synthesis of [ 1221931-26-5 ]

* 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 [ 1221931-26-5 ]

[ 1221931-26-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 38107-10-7 ]
  • [ 1221931-26-5 ]
  • [ 1221931-52-7 ]
YieldReaction ConditionsOperation in experiment
55% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20.0℃; for 12.0h; To a solution of Compound 19 (60 mg, 0.274 mmol) in DMF (1 ml) were added triethylamine (0.19 ml, 1.368 mmol), WSCD-HCl (79 mg, 0.410 mmol), HOBt (56 mg, 0.410 mmol) and tert-butyl 3-(aminomethyl) benzoate hydrochloride (133 mg, 0.547 mmol). It was stirred at room temperature for 12 hours. It was diluted with 1M HCl aqueous solution (2.0 ml) and extracted with ethyl acetate (10 ml). The oil layer was washed with H2O (5 ml) and brine (5 ml), respectively and dried over magnesium sulfate. The solvent was evaporated under reduced pressure. The residue was purified with silicagel chromatography (n-hexane : ethyl acetate = 1 : 1) to give Compound 20 (61.4 mg, 55 %) as yellow amorphous. 1H-NMR (DMSO-d6) delta: 1.53 (s, 9H), 4.05 (s, 2H) 4.40 (d, J=5.6 Hz, 2H), 7.30-7.37 (m, 1H), 7.39-7.49 (m, 3H), 7.55 (d, J=7.6 Hz, 1H), 7.76-7.85 (m, 2H), 7.93 (d, J=7.6 Hz, 2H), 8.00 (s, 1H), 8.87 (t, J=5.6 Hz, 1H).
 

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