| Identification | More | [Name]
4-tert-Butylcalix[4]arene | [CAS]
60705-62-6 | [Synonyms]
4-T-BUTYLCALIX[4]ARENE
4-TERT-BUTYLCALIX[4]ARENE
AKOS 43
ETHYL 2-([5,11,17,23-TETRA(TERT-BUTYL)-26,27,28-TRIS(2-ETHOXY-2-OXYETHOXY)PENTACYCLO[19.3.1.1(3,7).1(9,13).1(15,19)]OCTACOSA-1(25),3(28),4,6,9(27),10,12,15,17,19,(26),21,23-DODECAEN-25-YL]OXY)ACETATE
LABOTEST-BB LT00453198
P-TERT-BUTYLCALIX[4]ARENE
TETRA-TERT-BUTYL(TETRAHYDROXY)CALIX[4]ARENE
4-t-Butylcalix4arene,95%
4-TERT-BUTYLCALIX(4)ARENE 95%
Pentacyclo19.3.1.13,7.19,13.115,19octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1,1-dimethylethyl)-
4-tert-Butylcalix4üarene, 99%
2,6-[(5-tert-Butyl-2-hydroxy-1,3-phenylene)bis[methylene(5-tert-butyl-2-hydroxy-1,3-phenylene)methylene]]-4-tert-butylphenol
2,6'-Methylene-2',6''-methylene-2'',6'''-methylene-2''',6-methylenetetrakis(4-tert-butylphenol)
4-tert-Butyl-2,6-[(5-tert-butyl-2-hydroxy-1,3-phenylene)bis(methylene)bis(5-tert-butyl-2-hydroxy-3,1-phenylene)bis(methylene)]phenol
5,11,17,23-Tetrakis(tert-butyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol
5,11,17,23-Tetra-tert-butyl-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol | [EINECS(EC#)]
612-010-8 | [Molecular Formula]
C44H56O4 | [MDL Number]
MFCD00066280 | [Molecular Weight]
648.91 | [MOL File]
60705-62-6.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light beige crystalline powder or flakes | [Melting point ]
≥300 °C(lit.)
| [Boiling point ]
636.8°C (rough estimate) | [density ]
0.9543 (rough estimate) | [refractive index ]
1.6400 (estimate) | [storage temp. ]
Store below +30°C. | [form ]
Crystalline Powder or Flakes | [pka]
9.53±0.20(Predicted) | [color ]
White to light beige | [Water Solubility ]
Soluble in chloroform, benzene, toluene. Insoluble in water. | [BRN ]
2033965 | [InChIKey]
NVKLTRSBZLYZHK-UHFFFAOYSA-N | [SMILES]
C12=C(O)C(=CC(C(C)(C)C)=C1)CC1=C(O)C(=CC(C(C)(C)C)=C1)CC1=C(O)C(=CC(C(C)(C)C)=C1)CC1=C(O)C(=CC(C(C)(C)C)=C1)C2 | [CAS DataBase Reference]
60705-62-6(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
White to light beige crystalline powder or flakes | [Uses]
It is used as a starting material for further derivatization, including halogenation, acylation, and diazo coupling. | [Purification Methods]
The calixarene recrystallises from CHCl3 in large solvated prisms (m 380o dec); it effloresces on drying in air. Its tetra-acetate crystallises from Ac2O in colourless prisms m 332-333o(dec). It crystallises from CCl4 or chlorobenzene /EtOH (m >300o) and the tetra-acetate crystallises from CHCl3/EtOH m >290o(dec). It also crystallises from toluene in white plates with toluene of crystallisation m 344-346o (330-332o); the tetra-acetate crystallises with 1AcOH of crystallisation m 383-386o (softening at 330-340o, also m 283-286o), but acetylation with Ac2O/NaOAc gives the triacetate which recrystallises from AcOH with 1AcOH of crystallisation m 278-281o. 4-tert-Butylcalix[4]arene (100mg) is unchanged after boiling for 4hours with 10N KOH (0.04mL) in xylene (4mL). [Br J Pharmacol 10 73 1955, K.mmerer et al. Monatsh Chem 109 767 1978, 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.] |
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