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Chemical Structure| 80262-44-8 Chemical Structure| 80262-44-8
Chemical Structure| 80262-44-8

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Product Details of Cucurbituril

CAS No. :80262-44-8
Formula : C36H36N24O12
M.W : 996.82
SMILES Code : O=C1N2[C@@H]([C@@H]3[N@]1CN4[C@@H](N5CN3C6=O)[C@H]7N(C5=O)CN8[C@@H]9[C@@H]%10N(C8=O)CN%11C%12%13)N6CN%14C%15N(C2)C(N%16C%15N(C%14=O)CN%17C%18N(C%16)C(N%19C%18N(C%17=O)CN(C%12N(C%19)C(N%13CN%10C([N@@]9CN7C4=O)=O)=O)C%11=O)=O)=O
MDL No. :MFCD05664716
InChI Key :MSBXTPRURXJCPF-UHFFFAOYSA-N
Pubchem ID :196163

Safety of Cucurbituril

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

Application In Synthesis of Cucurbituril

* 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 [ 80262-44-8 ]

[ 80262-44-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 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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