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4-TERT-BUTYLCALIX[6]ARENE

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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
  • 4-TERT-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
CAS:
78092-53-2
MF:
C66H84O6
MW:
973.37
Product Categories:
  • Pharm intermediate
  • Calixarenes
  • Functional Materials
  • Macrocycles for Host-Guest Chemistry
  • Chelation/Complexation Compounds
  • Synthetic Reagents
Mol File:
78092-53-2.mol
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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.
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
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Safety Information

Risk Statements 
36/37/38
Safety Statements 
22-24/25
WGK Germany 
3
HS Code 
29072990

MSDS

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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.]

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