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. |
Computed Descriptors for 4-TERT-BUTYLCALIX[6]ARENE
New Products
4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile 4-Aminotetrahydropyran-4-carbonitrile Hydrochloride (R)-3-Aminobutanenitrile Hydrochloride 3-((Dimethylamino)methyl)-5-methylhexan-2-one oxalate 1,4-Dioxa-8-azaspiro[4.5]decane 5-Bromo-2-nitropyridine Nimesulide BP Aceclofenac IP/BP/EP Diclofenac Sodium IP/BP/EP/USP Mefenamic Acid IP/BP/EP/USP Ornidazole IP Diclofenac Potassium THOMAIND PAPER PH 2.0 TO 4.5 1 BOX BUFFER CAPSULE PH 9.2 - 10 CAP SODIUM CHLORIDE 0.1N CVS ALLOXAN MONOHYDRATE 98% PLATINUM 0.5% ON 3 MM ALUMINA PELLETS (TYPE 73) LITHIUM AAS SOLUTION 2-Bromo-1-(bromomethyl)-3-chloro-5-nitrobenzene 2-Bromo-3-nitroaniline N-(3-Hydroxypropyl)-N-methylacetamide 3-Bromo-6-chloropyridazine 4-ethyl-3-nitrobenzoic acidRelated products of tetrahydrofuran
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