Dibenzo[a,j]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-dien

Bezeichnung:Dibenzo[a,j]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-dien

CAS-Nr14187-32-7

Englisch Name:Dibenzo-18-crown-6

CBNumberCB0436113

SummenformelC20H24O6

Molgewicht360.4

MOL-Datei14187-32-7.mol

Synonyma

Dibenzo[a,j]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-dien

Dibenzo[a,j]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-dien physikalisch-chemischer Eigenschaften

Schmelzpunkt	162-164 °C (lit.)
Siedepunkt	380-384 °C (679 mmHg)
Dichte	1.1801 (rough estimate)
Brechungsindex	1.5200 (estimate)
Flammpunkt	380-384°C/679mm
storage temp.	Store below +30°C.
Löslichkeit	0.007g/l
Aggregatzustand	Fluffy Powder
Farbe	White to slightly beige
Wasserlöslichkeit	sparingly soluble
Sensitive	air sensitive
maximale Wellenlänge (λmax)	277nm(CH2Cl2)(lit.)
Merck	14,2602
BRN	1162153
InChIKey	YSSSPARMOAYJTE-UHFFFAOYSA-N
CAS Datenbank	14187-32-7(CAS DataBase Reference)
NIST chemische Informationen	Dibenzo-18-crown-6(14187-32-7)
EPA chemische Informationen	Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro- (14187-32-7)

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	36-36/37/38-20/21/22
S-Sätze:	26-37/39-36
WGK Germany	2
RTECS-Nr.	HP5386000
Hazard Note	Irritant
TSCA	Yes
HS Code	29329995
Toxizität	LD50 orally in Rabbit: 2600 mg/kg

Gefahreninformationscode (GHS)

Dibenzo-18-crown-6 Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36:Reizt die Augen.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Beschreibung
Dibenzo-18-crown-6 (DB18C6) is the first crown ether synthesized by Pedersen in 1967 and has the strongest binding affinity to a potassium cation (K+) among alkali metal cations. With the similarity of the sizes between K+ and the cavity of crown ether, it had long been believed that the binding selectivity comes from the size relationship between the metal cation and the cavity. However, it was reported that under identical experimental conditions, K+ bound strongly to all crown ethers (12-crown-4 to 24-crown-8) irrespective of the ring size among other cations such as Na+, Ca2+, and NH4+. Moreover, in the gas phase, 18-crown-6 (18C6) and dibenzo18-crown-6 (DB18C6) form preferential complexation in the order Li+ > Na+ > K+ > Rb+ > Cs+, while in the aqueous solution both of them show highest complexion capacity for K+ rather than Li+[1-2].
Chemische Eigenschaften
white to slightly beige fluffy powder
Verwenden
Crown ether/Dibenzo-18-crown-6 for synthesis. CAS 14187-32-7, molar mass 360.41 g/mol.
Verwenden
Dibenzo-18-crown-6, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is an important organic intermediate.
Definition
ChEBI: Dibenzo-18-crown-6 is a crown ether that is 18-crown-6 ortho-fused to two benzene rings at positions 8-9 and 17-18. It has a role as a phase-transfer catalyst. It is a member of benzenes and a crown ether.
läuterung methode
Crystallise it from *benzene, n-heptane or toluene and dry it under vacuum at room temperature for several days. [Szezygiel J Phys Chem 91 1252 1987, V.gtle ed. Top Corr Chem (Host Guest Complex Chemistry) 98 1981.]
Einzelnachweise
[1] Pooja Sahu, Jayant K. Singh, Sk. M. Ali. “Structural and dynamical properties of Li+-dibenzo-18-crown-6(DB18C6) complex in pure solvents and at the aqueous-organic interface.” Journal of Molecular Modeling 20 9 (2014).
[2] Chang Min Choi, Nam Joon Kim, Jiyoung Heo. “Binding selectivity of dibenzo-18-crown-6 for alkali metal cations in aqueous solution: A density functional theory study using a continuum solvation model.” Chemistry Central Journal 6 1 (2012): 84.

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