4-tert-Butylcalix[4]arene

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4-tert-Butylcalix[4]arene Basic information

Product Name:
4-tert-Butylcalix[4]arene
CAS:
60705-62-6
MF:
C44H56O4
MW:
648.91
EINECS:
612-010-8
Mol File:
60705-62-6.mol
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4-tert-Butylcalix[4]arene Chemical Properties

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.
pka
9.53±0.20(Predicted)
form 
Crystalline Powder or Flakes
color 
White to light beige
Water Solubility 
Soluble in chloroform, benzene, toluene. Insoluble in water.
BRN 
2033965
InChIKey
NVKLTRSBZLYZHK-UHFFFAOYSA-N
CAS DataBase Reference
60705-62-6(CAS DataBase Reference)
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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[4]arene Usage And Synthesis

Chemical Properties

White to light beige crystalline powder or flakes

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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