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ChemicalBook--->CAS DataBase List--->259886-51-6

259886-51-6

259886-51-6 Structure

259886-51-6 Structure
IdentificationBack Directory
[Name]

CUCURBIT(8)URIL
[CAS]

259886-51-6
[Synonyms]

Cucurbit[8]uril
Curcubit[8]uril
Cucurbit[8]uril hydrate
Cucurbit[8]uril (CB[8]) hydrate
CUCURBIT(8)URIL ISO 9001:2015 REACH
Cucurbit[8]uril (CB[8]) hydrate, 99+%
Cucurbit[8]uril hydrate contains acid of crystalization
2,20:3,19-Dimethano-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,14a,15a,16a,17a,19,20,21a,22a,23a,24a,25a,26a,27a,28a,29a,30a,31a,32a,33a,34a-dotriacontaazabispentaleno[1''''',6''''':5'''',6'''',7'''']cycloocta[1'''',2'''',3'''':3''',4''']pentaleno[1''',6''':5'
2,20:3,19-Dimethano-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,14a,15a,16a,17a,19,20,21a,22a,23a,24a,25a,26a,27a,28a,29a,30a,31a,32a,33a,34a-dotriacontaazabispentaleno[1''''',6''''':5'''',6'''',7'''']cycloocta[1'''',2'''',3'''':3''',4''']pentaleno[1''',6''':5'',6'',7'']cycloocta[1'',2'',3'':3',4']pentale...
[Molecular Formula]

C48H48N32O16
[MDL Number]

MFCD03456501
[MOL File]

259886-51-6.mol
[Molecular Weight]

1329.1
Chemical PropertiesBack Directory
[density ]

2.71
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[color ]

white
[Optical Rotation]

[α]20/D -61°, c =1% in H2O
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

Cucurbit[8]uril hydrate can be used as ananocontainer in a polyelectrolyte multilayer film.
[Definition]

ChEBI: Cucurbit[8]uril is a cucurbituril.
[Synthesis]

Glycoluril

496-46-8

DIETHOXYMETHANE

462-95-3

CUCURBITURIL

80262-44-8

CUCURBIT(8)URIL

259886-51-6

CUCURBIT(5)URIL

259886-49-2

CUCURBIT(7)URIL

259886-50-5

General procedure for the synthesis of cucurbit[n]uril from glyburide and diethoxymethane: Unsubstituted glyburide (19.94 g) and pure methanesulfonic acid (82 mL) were added to a reaction flask and heated to 80 °C. Subsequently, diethoxymethane (35.21 mL) was added slowly and the reaction mixture was warmed up to 100 °C (internal temperature) and kept for 18 hours. Upon completion of the reaction, the mixture was cooled and poured into acetone (410 mL) and a brown powder was precipitated. The product composition was analyzed by 1H NMR to give cucurbit[5]uril (8%), cucurbit[6]uril (42%), cucurbit[7]uril (43%), cucurbit[8]uril (7%), cucurbit[9]uril (0%), cucurbit[10]uril (0%) and cucurbit[13]uril (0%). In addition, the residual formaldehyde content was 34 ppm by HPLC.

[in vivo]

Cucurbit[8]uril shows a very low toxicity of the in vivo intravenous injection, as well as oral administration studies on mice[2].

[References]

[1] Patent: WO2018/115822, 2018, A1. Location in patent: Page/Page column 16
Spectrum DetailBack Directory
[Spectrum Detail]

CUCURBIT(8)URIL(259886-51-6)1HNMR
CUCURBIT(8)URIL(259886-51-6)IR
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