| Identification | Back Directory | [Name]
4',4''(5'')-DI-TERT-BUTYLDIBENZO-18-CROWN-6 | [CAS]
29471-17-8 | [Synonyms]
14)-bis(1,1-dimethylethyl)-ro-13(or2
4,4'-Di-tert-butyldibenzo-18-crown-6
AR,AR'-DI-TERT-BUTYLDIBENZO-18-CROWN-6
4',4''(5'')-DI-TERT-BUTYLDIBENZO-18-CROWN-6
4',4pi(5pi)-Di-tert-butyldibenzo-18-crown-6
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6,94%
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 95%
4,45-Di-tert.-butylbenzo-18-crown-6, mixture of isomers
4',4''(5'')-di-tert-butyldibenzo-18-crown-6, mixed iso
4',4''(5'')-di-tert-butyldibenzo-18-crown-6, mixed isomers | [Molecular Formula]
C28H40O6 | [MDL Number]
MFCD00068541 | [MOL File]
29471-17-8.mol | [Molecular Weight]
472.61 |
| Chemical Properties | Back Directory | [Appearance]
Off-white powder | [Melting point ]
112-116 °C
| [Boiling point ]
533.38°C (rough estimate) | [density ]
1.0542 (rough estimate) | [refractive index ]
1.6000 (estimate) | [form ]
powder | [BRN ]
1667522 | [InChI]
InChI=1S/C28H40O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-30-14-18-34-26-20-22(28(4,5)6)8-10-24(26)32-16-12-29-11-15-31-23/h7-10,19-20H,11-18H2,1-6H3 | [InChIKey]
CVQLBTRJDFZYMS-UHFFFAOYSA-N | [SMILES]
C12OCCOCCOC3=C(C=CC(C(C)(C)C)=C3)OCCOCCOC=1C=CC(C(C)(C)C)=C2 | [EPA Substance Registry System]
Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 2,13(or 2,14)-bis(1,1-dimethylethyl)-6,7,9,10,17,18,20,21-octahydro- (29471-17-8) |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white powder | [Description]
4′,4″(5″)-Di-tert-butyldibenzo-18-crown-6 is a hydrophobic crown
ether compound. This crown ether is potentially useful in studies of ion
transport through non-polar regions and membranes, and has been
described in the design of microsensor devices for ammonia determination
based upon ammonia-mediated deprotonation of a pH indicator followed by
sequestering of ammonium within the
4′,4″(5″)-Di-tert-butyldibenzo-18-crown-6 sphere. | [Uses]
4'',4''''(5'''')-Di-tert-butyldibenzo-18-crown-6 is a hydrophobic crown ether compound.. | [Synthesis]
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 (DTBB18C6) was synthesized using 4-tert-butyl catechol (TBC) as starting material, 2,2′-diethylene glycol di(p-touenesulfonate) as cyclization reagent, Cs2CO3 as template, and tetrahydrofuran (THF) as solvent. The reaction was carried out in a sealed environment with nitrogen, and Cs2CO3 was supplemented in three steps. Moreover, it could also be synthesized by improving the electrophilic aromatic substitution of dibenzo-18-crown-6 (DB18C6) using tert-butyl alcohol (TBA) as alkylation reagent, H3PO4 (85 wt %) as catalyst and CH2Cl2 as solvent[1-2].
| [References]
[1] Juan Fan. “Preparation of 4′,4′′(5′′)-Di-tert-butyldibenzo-18-crown-6 Based on Electrophilic Aromatic Substitution.” Chemistry Letters 41 1 (2012): 274–276.
[1] Jun Fan. “Optimization of Synthetic Strategy of 4′4″(5″)-Di-tert-butyldibenzo-18-crown-6 Using Response Surface Methodology.” Organic Process Research & Development 17 3 (2013): 368–374.
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