4-TERT-BUTYLCALIX[6]ARENE

CAS NO.：78092-53-2
Empirical Formula: C66H84O6
Molecular Weight: 973.37
MDL number: MFCD00075464
SAFETY DATA SHEET (SDS)
Update Date: 2023-05-04 17:34:42

What is 4-TERT-BUTYLCALIX[6]ARENE?

Chemical properties

WHITE FINE CRYSTALLINE POWDER

The Uses of 4-TERT-BUTYLCALIX[6]ARENE

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.]

Properties of 4-TERT-BUTYLCALIX[6]ARENE

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

Safety information for 4-TERT-BUTYLCALIX[6]ARENE

Signal word	Danger
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.