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Chemical Structure| 52218-17-4 Chemical Structure| 52218-17-4

Structure of 52218-17-4

Chemical Structure| 52218-17-4

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Product Details of [ 52218-17-4 ]

CAS No. :52218-17-4
Formula : C10H8N2O2
M.W : 188.18
SMILES Code : O=C(C(C1=N)=CC2=C(O1)C=CC=C2)N
MDL No. :MFCD00488488

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Application In Synthesis of [ 52218-17-4 ]

* 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 [ 52218-17-4 ]

[ 52218-17-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 52218-17-4 ]
  • [ 15119-34-3 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; trichlorophosphate; In 1,4-dioxane; at 10℃; for 10.25h;Reflux; A solution of phosphoryl chloride (0.5 mL, 5 mmol) in dry 1,4-dioxane (5 mL) was added dropwise to compound 1 (0.94 g, 5 mmol) in dry 1,4-dioxane (25 mL) in the presence of catalytic amount of triethylamine (1.91 mL, 10 mmol) or in pyridine (25 mL) for 15 min at 10 C. The mixture was heated under reflux for 10 h. The reaction mixture was cooled and poured into cold water. The formed solid was filtered off, washed with water and crystallized from diluted EtOH to give white solid in 38-45% yield; mp 140-142 C (Lit.19 144-146 C). IR (KBr), (v max, cm-1): 3051 (C-Harom), 2240 (C≡N), 1734 (C=O), 1607, 1562 (C=C), 1049 (C-O). 1H-NMR (400 MHz, DMSO-d6): 7.45 (t, 1H, J=7.6 Hz, H-6), 7.49 (d, 1H, J=8.4 Hz, H-8), 7.76-7.80 (m, 2H, H-7 and H-5), 8.93 (s, 1H, H-4).
 

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