ChemicalBook--->CAS DataBase List--->78092-53-2

78092-53-2

78092-53-2 Structure

78092-53-2 Structure
IdentificationBack Directory
[Name]

4-TERT-BUTYLCALIX[6]ARENE
[CAS]

78092-53-2
[Synonyms]

4-T-BUTYLCALIX[6]ARENE
(contains 5-10% Benzene)
4-TERT-BUTYLCALIX[6]ARENE
P-TERT-BUTYLCALIX[6]ARENE
4-tert-Butylcalix[6]arene,96%
4-tert-Butylcalix[6]arene 95%
4-tert-Butylcalix[6]arene 
4-TERT-BUTYLCALIX[6]ARENE (LCAREA)
5,11,17,23,29,35-Hexa-Tert-Butyl-37,38
P-TERT-BUTYLCALIX[6]ARENE FOR SYNTHESIS
HEXA-TERT-BUTYL(HEXAHYDROXY)CALIX[6]ARENE
4-tert-Butylcalix[6]arene (contains 5-10% Benzene)
4-TERT-BUTYLCALIX[6]ARENE (CONTAINS 5-10% BENZENE) 98+%
4-tert-Butylcalix[6]arene (contains 5-10% Benzene)
5,11,17,23,29,35-hexa-tert-butylcalix[6]arene-37,38,39,40,41,42-hexol
5,11,17,23,29,35-HEXA-TERT-BUTYL-37,38,39,40,41,42-HEXAHYDROXYCALIX[6]ARENE
Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol,5,11,17,23,29,35-hexakis(1,1-dimethylethyl)
Heptacyclo31.3.1.13,7.19,13.115,19.121,25.127,31dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol, 5,11,17,23,29,35-hexakis(1,1-dimethylethyl)-
Heptacyclo[31. 3. 1. 13,7. 19,13. 115,19. 121,25. 127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol,5,11,17,23,29,35-hexakis(1,1-dimethyle
[Molecular Formula]

C66H84O6
[MDL Number]

MFCD00075464
[MOL File]

78092-53-2.mol
[Molecular Weight]

973.37
Chemical PropertiesBack Directory
[Appearance]

WHITE FINE CRYSTALLINE POWDER
[Melting point ]

≥300 °C(lit.)
[Boiling point ]

784.26°C (rough estimate)
[density ]

0.9131 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

Store below +30°C.
[form ]

powder to crystal
[pka]

9.35±0.20(Predicted)
[color ]

White to Almost white
[Water Solubility ]

<9.73mg/L(temperature not stated)
[λmax]

286nm(CH3CN)(lit.)
[BRN ]

2611918
[InChIKey]

UOEYZAXKBKAKRO-UHFFFAOYSA-N
[SMILES]

CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc(c1)c2O)c7O)C(C)(C)C)c6O)C(C)(C)C)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C
Hazard InformationBack Directory
[Chemical Properties]

WHITE FINE CRYSTALLINE POWDER
[Uses]

Starting material for further derivatization, including halogenation, acylation, and diazo coupling.
[Definition]

ChEBI: 5,11,17,23,29,35-hexa-tert-butylcalix[6]arene-37,38,39,40,41,42-hexol is a substituted calixarene. It derives from a hydride of a calix[6]arene.
[Purification Methods]

It is recrystallised from CHCl3 or CHCl3/MeOH to give a white solid from the mother liquors of the calix[8]arene preparation. The hexa-acetate (Ac2O/H2SO4) crystallises from CHCl3/MeOH with m 360-362o(dec), and the (SiMe3)6 derivative crystallises from CHCl3/MeOH with m 410-412o. Its stability in KOH-xylene is the same as for the 4-tert-butylcalix[4]arene. [Gutsche et al.J Am Chem Soc 103 3782 1981. See also Kluawer in Calixarenes, Vicens & B.hner eds Academic Press 1991, Beilstein 6 IV 7858.]
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HS Code ]

29072990
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

4-TERT-BUTYLCALIX[6]ARENE(78092-53-2)Raman
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