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Chemical Structure| 50427-81-1 Chemical Structure| 50427-81-1

Structure of 50427-81-1

Chemical Structure| 50427-81-1

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Product Details of [ 50427-81-1 ]

CAS No. :50427-81-1
Formula : C11H12N4O
M.W : 216.24
SMILES Code : O=C(C1=C(N)N(C2=CC=CC=C2)N=C1C)N
MDL No. :MFCD12547001

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Application In Synthesis of [ 50427-81-1 ]

* 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 [ 50427-81-1 ]

[ 50427-81-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 42926-52-3 ]
  • [ 50427-81-1 ]
  • 6-(2-ethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo [3,4-d]pyrimidin-4(5H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% With dmap; triethylamine; In N,N-dimethyl-formamide; at 0℃; for 24h;Reflux; In a round-bottomed flask, the solution of compound 7 (1.0 mmol), DMAP (3 mol%), and triethylamine (2.2 mmol) in dried DMF of 5 mL was stirred at 0 C. To this solution was added <strong>[42926-52-3]2-ethoxybenzoyl chloride</strong> (2.0 mmol) dropwise using 1-mL syringe at 0 C, and then followed by reflux for 24 h. The reaction mixture was cooled to room temp followed by quenching with water, extracted with DCM, washed with brine. The crude mixture was dried over MgSO4 and filtered and concentrated under vacuum. The crude mixture was recrystallized from EA/Hex or ether to afford the pure products 9 (47%) as a white solid. mp 144-146 C IR (KBr, cm-1) 3080, 2978, 2929, 2217, 1686, 1543, 1484, 1302, 756; 1H NMR (400 MHz, CDCl3) delta 10.08 (s, 1H), 8.19 (d, J 6.4 Hz, 1H), 7.51 (t, J 8.0 Hz, 1H), 7.46 (d, J 7.6 Hz, 2H), 7.40 (t, J 7.6 Hz, 2H), 7.35 (d, J 6.8 Hz, 1H), 7.09 (t, J 7.6 Hz, 1H), 6.96 (d, J 8.4 Hz, 1H), 4.09-4.04 (q, J 6.8 Hz, 2H), 2.55 (s, 3H), 1.14 (t, J 7.0 Hz, 3H); 13C NMR (100 MHz, CDCl3) delta 165.6, 165.5, 157.4, 149.8, 138.5, 135.1, 134.7, 133.0, 129.3, 128.3, 124.5, 121.5, 119.4, 112.6, 111.6, 65.2, 14.2, 14.1; HRMS (ESI) [MH]calcd for C20H19N4O2: 347.143, found 347.147.
 

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