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Chemical Structure| 259886-50-5 Chemical Structure| 259886-50-5
Chemical Structure| 259886-50-5

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Synonyms: CB7; Carrier CB7

4.5 *For Research Use Only !

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Product Details of Cucurbit[7]uril

CAS No. :259886-50-5
Formula : C42H42N28O14
M.W : 1162.96
SMILES Code : O=C1N2[C@](N3CN4[C@@]5([H])N(C(N6[C@@]5([H])N(CN7[C@@]8([H])N(C(N9[C@@]8([H])N(CN%10[C@@]%11([H])N(C(N(C%12)[C@@]%11([H])N(CN%13C(N%14CN%15C(N%16CN%17[C@@]%18([H])N(CN%19[C@]%16([H])[C@]%15([H])N(CN%20[C@]%14([H])[C@]%13([H])N%12C%20=O)C%19=O)C%21=O)=O)=O)C%10=O)=O)C9)C7=O)=O)C6)C4=O)=O)C2)([H])[C@]%22([H])N1CN%21[C@@]%18([H])N(C%17=O)CN%22C3=O
Synonyms :
CB7; Carrier CB7
MDL No. :MFCD03456500
InChI Key :ZDOBFUIMGBWEAB-UHFFFAOYSA-N
Pubchem ID :6096207

Safety of Cucurbit[7]uril

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of Cucurbit[7]uril

* 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 [ 259886-50-5 ]

[ 259886-50-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 53164-05-9 ]
  • [ 259886-50-5 ]
  • C42H42N28O14*C21H18ClNO6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water; General procedure: Due to the irregular trend in absorbance spectra we were unable toget the binding constant value by using the absorbance data. The interactionbetween the IMC and ACMdrug moleculewith host can be quantitativelyestimated directly from the fluorescence measurement inorder to get strength of the host-guest interaction between IMC andACM with CB7, respectively. The binding constant value obtained fromfluorescence data represents the binding strength in excited state. Inour study we found that 1:1 complex is formed for both the drug moleculeswith macrocyclic host CB7.
  • 2
  • [ 32846-66-5 ]
  • [ 259886-50-5 ]
  • C42H42N28O14*C10H8O4 [ No CAS ]
  • 3
  • [ 496-46-8 ]
  • [ 17464-88-9 ]
  • [ 80262-44-8 ]
  • [ 259886-51-6 ]
  • [ 259886-50-5 ]
YieldReaction ConditionsOperation in experiment
Ca. 58%Spectr.; Ca. 9%Spectr.; Ca. 28%Spectr. With methanesulfonic acid; at 80 - 100℃; for 18.0h; Synthesis of cucurbit[n]urils in methanesulphonic acid usingTetramethoxymethylglycoluril (TMMG)Unsubstituted glycoluril (19.94 g) and methane sulphonic acid (neat, 82 ml_) were placed in a reaction flask and heated to 80 °C. TMMG (44.66 g) was added in drop-wise and the reaction mixture was then heated to 100 °C (internal temp) for 18 hours. The reaction mixture was cooled and added to methanol (410 ml) to produce a beige powder which was analysed by1H NMR. Approximate Yields b1H NMR (percent of recovered product) cucurbit[5]uri 5percent, cucurbit[6]uri 58percent, cucurbit[7]uril 28percent, cucurbit[8]uril 9percent, cucurbit[9]uril 0percent, cucurbit[10]uril 0percent, cucurbit[11]uril 0percent
 

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