4-tert-Butylcalix[4]arene
Synonym(s):p-tert-Butylcalix[4]arene
- CAS NO.:60705-62-6
- Empirical Formula: C44H56O4
- Molecular Weight: 648.91
- MDL number: MFCD00066280
- EINECS: 612-010-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 4-tert-Butylcalix[4]arene?
Chemical properties
White to light beige crystalline powder or flakes
The Uses of 4-tert-Butylcalix[4]arene
It is used as a starting material for further derivatization, including halogenation, acylation, and diazo coupling.
What are the applications of Application
4-tert-Butylcalix[4]arene is a starting material for further derivatization, including halogenation, acylation, and diazo coupling
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.]
Properties of 4-tert-Butylcalix[4]arene
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 |
CAS DataBase Reference | 60705-62-6(CAS DataBase Reference) |
Safety information for 4-tert-Butylcalix[4]arene
Signal word | Warning |
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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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[4]arene
InChIKey | NVKLTRSBZLYZHK-UHFFFAOYSA-N |
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