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Chemical Structure| 21079-31-2 Chemical Structure| 21079-31-2

Structure of 21079-31-2

Chemical Structure| 21079-31-2

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Product Details of [ 21079-31-2 ]

CAS No. :21079-31-2
Formula : C14H12N4O4
M.W : 300.27
SMILES Code : O=C(O)CN1C2=CC(C)=C(C)C=C2N=C3C(NC(N=C13)=O)=O

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Application In Synthesis of [ 21079-31-2 ]

* 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 [ 21079-31-2 ]

[ 21079-31-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 21079-31-2 ]
  • [ 138007-24-6 ]
  • [ 1262315-29-6 ]
YieldReaction ConditionsOperation in experiment
7% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 18 - 50℃; for 20h; Step 2 Preparation of l-[2-(7,8-Dimethyl-2,4-dioxo-3,4-dihvdro-2H-benzo[g]pteridin- 10-yl)-acetyll-<strong>[138007-24-6]piperidine-4-carboxylic acid tert-butyl ester</strong>; [0113] To a suspension of (7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H- benzo[g]pteridin-10-yl)-acetic acid (50 mg, 0.17 mmol) and <strong>[138007-24-6]piperidine-4-carboxylic acid tert-butyl ester</strong> (32 mg, 0.17 mmol) in DMF (3 mL), /-PrNEt2 (0.06 mL, 0.34 mmol) and HATU (65 mg, 0.17 mmol) are added sequentially at room temperature. After 17 h the temperature is increased to 50 °C for 3 h. The reaction mixture is cooled to room temperature, diluted with water (3 mL) and purified using preparative HPLC purification (Method 1). l-[2-(7,8-Dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-10-yl)- acetyl]-<strong>[138007-24-6]piperidine-4-carboxylic acid tert-butyl ester</strong> (4.9 mg) is isolated following lyophilization of the appropriate fractions (Yield: 7 percent). 1H NMR (400 MHz, DMSO-d6) delta 11.39 (s, 1H), 7.95 (s, 1H), 7.61 (s, 1H), 5.63 (m, 2H), 4.08 (m, 2H), 2.88 (m, 1H), 2.48 (s, 3H), 1.76 (m, 4H), 1.44 (s, 9H). LC-MS m/z 468.0 [M+H]+, retention time = 6.79 min.
 

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