4-TERT-BUTYLCALIX[8]ARENE

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4-TERT-BUTYLCALIX[8]ARENE Basic information

Product Name:
4-TERT-BUTYLCALIX[8]ARENE
CAS:
68971-82-4
MF:
C88H112O8
MW:
1297.83
Mol File:
68971-82-4.mol
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4-TERT-BUTYLCALIX[8]ARENE Chemical Properties

Melting point:
411-412 °C(lit.)
Boiling point:
845.32°C (rough estimate)
Density 
1.095±0.06 g/cm3 (20 ºC 760 Torr)
refractive index 
1.6000 (estimate)
pka
9.23±0.20(Predicted)
form 
Micro-Crystalline Powder
color 
White to off-white
BRN 
2612052
EPA Substance Registry System
Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-49,50,51,52,53,54,55,56-octol, 5,11,17,23,29,35,41,47-octakis(1,1-dimethylethyl)- (68971-82-4)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
TSCA 
Yes
HS Code 
29072990

MSDS

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4-TERT-BUTYLCALIX[8]ARENE Usage And Synthesis

Chemical Properties

white to off-white micro-crystalline powder

Purification Methods

The calixarene recrystallises from CHCl3 in fine colourless, glistening needles. It melts sharply between 400-401o and 411-412o depending on the sample and is sensitive to traces of metal ions. On TLC with silica gel (250\m thick) and elution with CHCl3/hexane (3:4) it has RF 0.75. The octa-acetate is prepared from 8g in Ac2O (50mL) and 2 drops of conc H2SO4 and refluxed for 2hours. On cooling, a colourless precipitate separates and is recrystallised from Ac2O (1.2g 48%) with m 353-354o. The (SiMe3)8 is prepared from 4-tert-butylcalix[8]arene (0.65g) in pyridine (4mL) with excess of hexamethyldisilazane (1mL) and trimethylchlorosilane (0.5mL) and refluxed under N2 for 2hours. Cool, evaporate the pyridine, triturate the gummy residue with MeOH. Chromatograph on silica gel using hexane/CH2Cl2 gave 0.5g (61%) with one spot on TLC. Recrystallise it from hexane/Me2CO to give colourless needles m 358-360o. [Gutsche et al. J Am Chem Soc 103 3782 1981, Gutsche & MuthuKrishnan J Org Chem 43 4905 1978, Gutsche & MuthuKrishnan J Org Chem 44 3962 1979, Andretti et al. J Chem Soc, Chem Commun 533 1981; see Kluawer in Calixarenes, Vicens & B.hner eds Academic Press 1991.]

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4-TERT-BUTYLCALIX[8]ARENESupplierMore

J & K SCIENTIFIC LTD.
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010-82848833- ;010-82848833-
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jkinfo@jkchemical.com;market6@jkchemical.com
Meryer (Shanghai) Chemical Technology Co., Ltd.
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INTATRADE GmbH
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+49 3493/605464
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Alfa Aesar
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TCI (Shanghai) Development Co., Ltd.
Tel:
021-67121386 / 800-988-0390
Email:
Sales-CN@TCIchemicals.com
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