106750-73-6

Basic information

• Product Name: 1-METHOXYCALIX[6]ARENE
• Synonyms: 1-METHOXYCALIX[6]ARENE
• CAS NO: 106750-73-6
• Molecular Formula: C₄₈H₄₈O₆
• Molecular Weight: 720.89
• Mol File: 106750-73-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 877.9°Cat760mmHg
• Flash Point: 316.3°C
• Appearance: /
• Density: 1.122g/cm³
• Vapor Pressure: 3.66E-30mmHg at 25°C
• Refractive Index: 1.585
• CAS DataBase Reference: 1-METHOXYCALIX[6]ARENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHOXYCALIX[6]ARENE(106750-73-6)
• EPA Substance Registry System: 1-METHOXYCALIX[6]ARENE(106750-73-6)

Safety Data

• Hazardous Substances Data: 106750-73-6(Hazardous Substances Data)

Usage

Calixarene family

1-METHOXYCALIX[6]ARENE is a chemical compound that belongs to the calixarene family, which is a group of macrocyclic compounds consisting of phenol units linked by methylene bridges.

Macrocyclic structure

The compound has a large cavity in the center, formed by six phenol units connected by methylene bridges, making it suitable for use in host-guest chemistry and molecular recognition applications.

Hydrophobic properties

The presence of a methoxy group on the calixarene ring gives the compound hydrophobic properties, making it useful for encapsulating hydrophobic guests and as a receptor for cations.

Potential applications

1-METHOXYCALIX[6]ARENE has been studied for its potential applications in supramolecular chemistry, drug delivery, sensing, and catalyst design.

Industrial and scientific applications

The unique structure and properties of 1-METHOXYCALIX[6]ARENE make it a promising candidate for various industrial and scientific applications.

InChI:InChI=1/C48H48O6/c1-49-43-31-13-7-14-32(43)26-34-16-9-18-36(45(34)51-3)28-38-20-11-22-40(47(38)53-5)30-42-24-12-23-41(48(42)54-6)29-39-21-10-19-37(46(39)52-4)27-35-17-8-15-33(25-31)44(35)50-2/h7-24H,25-30H2,1-6H3

Upstream product

• 96107-95-8 calix[6]arene 
• 74-88-4 methyl iodide 

Downstream Products

• 124006-38-8 37,38,39,40,41,42-hexamethoxy-5,11,17,23,29,35-hexakis(chloromethyl)calix<6>arene 

Relevant articles and documents

Layered calcium structures of p-phosphonic acid o-methyl-calix[6]arene

Hexamethoxy-calix[6]arene has been fully functionalized with p-phosphonic acid groups on the upper rim in57% yield over three steps and has been authenticated in the solid state by X-ray diffraction as either a nitrate salt or one of two calcium complexes. The latter differ by the ratio of calcium ions per calixarene, either 3:1 or 4:1. In both structures, the coordination sphere of the calcium ions is made up of oxygen atoms from the phosphonic acid groups and from water of crystallization, as part of extended polymeric layers in the extended three-dimensional packing. Hirshfeld surface analysis shows extensive O...H and O...Ca interactions for the phosphonic acid moieties in both calcium structures. Matrix assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) of the hexaphosphonic acid shows nanoarrays consisting of up to a maximum of 28 calixarene units.

Molecular design of calixarene-based host molecules for inclusion of C60 in solution

Calix[6]arenes bearing N,N-dialkylaniline units or m-phenylenediamine units were synthesized to capture C60 in organic solution: the association constants (7.9-1.1 × 102 dm3mol-1) were the largest values obtained so far, indicating that calix[6]arene acts as an excellent platform to facilitate the cooperative action of the donor groups.