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Chemical Structure| 1256247-73-0 Chemical Structure| 1256247-73-0

Structure of 1256247-73-0

Chemical Structure| 1256247-73-0

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Product Details of [ 1256247-73-0 ]

CAS No. :1256247-73-0
Formula : C22H16N4O8
M.W : 464.38
SMILES Code : O=C(C1=CC=C(C=C1)N=NC2=CC=C(C(ON3C(CCC3=O)=O)=O)C=C2)ON4C(CCC4=O)=O
MDL No. :N/A

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Application In Synthesis of [ 1256247-73-0 ]

* 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 [ 1256247-73-0 ]

[ 1256247-73-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1256247-73-0 ]
  • [ 29390-67-8 ]
  • C98H148N4O70 [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% In N,N-dimethyl-formamide; at 20℃; for 16h; beta-CD-NH2 (2.02 g, 1.78 mmol,2 equiv) and 3 (404 mg, 0.87 mmol, 1 equiv) were dissolved in5 mL of dried distilled DMF. After 16 h of stirring at roomtemperature, the mixture was concentrated and the product precipitatedby addition of acetone, then dried under reduced pressure.The product 1 was obtained as an orange powder(m = 4.44 g) with a quantitative yield and an HPLC purity over98percent. Then, the product was purified by flash chromatography(20 min, H2O/MeOH from 90:10 to 10:90 (v/v), 40 mL·min?1)to afford compound 1 (2.75 g, 62percent). Mp 423 K (dec); 1H NMR(D2O, 600.13 MHz) delta 7.94 (d, 3JH10?H11 = 8.1 Hz, H10, 4H),7.90 (d, 3JH11?H10 = 8.1 Hz, H11, 4H), 4.97?5.17 (m, H1I?VII,14H), 3.14?4.25 (m, H2I?VII?H3I?VII?H4I?VII?H5I?VIIH6I?VII?H6I?VII, 84H) ppm; 13C NMR (D2O, 150.76 MHz) delta168.19 (C=O), 153.56 (C12), 135.35 (C9), 128.21 (C10), 122.94(C11), 101.28?101.93 (C1I?VII), 83.69 (C4I), 80.26?81.05(C4II?VII), 71.63?73.54 (C2I?VII?C3I?VII?C5II?VII), 70.44 (C5I),59.16?60.42 (C6II?VII), 41.15 (C6I); HRMS?ESI (m/z): [M +Na]+ calcd for C98H148N4O70Na, 2523.8042; found,2523.8125.
 

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