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| | 4-tert-Butylcalix[6]arene Basic information |
| Product Name: | 4-tert-Butylcalix[6]arene | | Synonyms: | 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);5,11,17,23,29,35-HEXA-TERT-BUTYL-37,38,39,40,41,42-HEXAHYDROXYCALIX[6]ARENE;4-T-BUTYLCALIX[6]ARENE;HEXA-TERT-BUTYL(HEXAHYDROXY)CALIX[6]ARENE;P-TERT-BUTYLCALIX[6]ARENE;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;4-TERT-BUTYLCALIX[6]ARENE (LCAREA) | | CAS: | 78092-53-2 | | MF: | C66H84O6 | | MW: | 973.37 | | EINECS: | | | Product Categories: | Pharm intermediate;Calixarenes;Functional Materials;Macrocycles for Host-Guest Chemistry;Chelation/Complexation Compounds;Synthetic Reagents | | Mol File: | 78092-53-2.mol | ![4-tert-Butylcalix[6]arene Structure](CAS/GIF/78092-53-2.gif) |
| | 4-tert-Butylcalix[6]arene Chemical Properties |
| 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. | | pka | 9.35±0.20(Predicted) | | form | powder to crystal | | 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 |
| Risk Statements | 36/37/38 | | Safety Statements | 22-24/25 | | WGK Germany | 3 | | HS Code | 29072990 | | Storage Class | 11 - Combustible Solids |
| | 4-tert-Butylcalix[6]arene Usage And Synthesis |
| 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.] |
| | 4-tert-Butylcalix[6]arene Preparation Products And Raw materials |
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