4',4''(5'')-Di-tert-butyldibenzo-18-crown-6

Bezeichnung:4',4''(5'')-Di-tert-butyldibenzo-18-crown-6

CAS-Nr29471-17-8

Englisch Name:4',4''(5'')-Di-tert-butyldibenzo-18-crown-6

CBNumberCB7722219

SummenformelC28H40O6

Molgewicht472.61

MOL-Datei29471-17-8.mol

4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 physikalisch-chemischer Eigenschaften

Schmelzpunkt	112-116 °C
Siedepunkt	533.38°C (rough estimate)
Dichte	1.0542 (rough estimate)
Brechungsindex	1.6000 (estimate)
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 chemische Informationen	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)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38-36/38-22
S-Sätze:	26-36-36/37
RIDADR	2811
WGK Germany	3
RTECS-Nr.	HP5386500
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29329990

Gefahreninformationscode (GHS)

4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Beschreibung
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.
Chemische Eigenschaften
Off-white powder
Verwenden
4'',4''''(5'''')-Di-tert-butyldibenzo-18-crown-6 is a hydrophobic crown ether compound..
Synthese
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].
Einzelnachweise
[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.

4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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