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HomeProduct name list4-tert-Butylcalix[4]arene

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
4-tert-Butylcalix[4]arene Structural

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)
ghs
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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