40471-97-4

Basic information

• Product Name: 5,6,14,15-DIBENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE
• Synonyms: KRYPTOFIX(R) 222 BB;6,7,9,10,17,18,20,21-octahydro-8,19-(ethanoxyethanoxyethano)-8H,19H-dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine;KRYPTOFIX 222 BB 99+%;8,19-(Ethanoxyethanoxyethano)-8H,19H-dibenzob,k1,4,10,13,7,16tetraoxadiazacyclooctadecine, 6,7,9,10,17,18,20,21-octahydro-;5,6:14,15-Bis(2-butene-1,4-diylidene)-1,10-diaza-4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane;Dibenzocryptand[222];N,N'-[1,2-Phenylenebis(oxyethylene)]-N,N'-[1,2-phenylenebis(oxyethylene)]-2,2'-(ethylenebisoxy)diethanamine;N,N'-[1,2-Phenylenebis(oxyethylene)]-N,N'-[1,2-phenylenebis(oxyethylene)]-3,6-dioxa-1,8-octanediamine
• CAS NO: 40471-97-4
• Molecular Formula: C₂₆H₃₆N₂O₆
• Molecular Weight: 472.57
• EINECS: 254-936-1
• Mol File: 40471-97-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 599.3 °C at 760 mmHg
• Flash Point: 161.1 °C
• Appearance: /
• Density: 1.21 g/cm³
• Vapor Pressure: 2.55E-14mmHg at 25°C
• Refractive Index: 1.585
• PKA: 7.01±0.20(Predicted)
• CAS DataBase Reference: 5,6,14,15-DIBENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE(CAS DataBase Reference)
• NIST Chemistry Reference: 5,6,14,15-DIBENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE(40471-97-4)
• EPA Substance Registry System: 5,6,14,15-DIBENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE(40471-97-4)

Safety Data

• Hazardous Substances Data: 40471-97-4(Hazardous Substances Data)

Usage

General Description

5,6,14,15-Dibenzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane, also known as crown ether, is a chemical compound with a complex molecular structure. It belongs to a class of compounds known as macrocyclic polyethers, and is characterized by its ability to complex with metal ions. Crown ethers are widely used in chemical research and industry as phase transfer catalysts, extracting agents, and complexing agents. They are known for their ability to selectively bind to certain cations, and have applications in areas such as ion chromatography, separation science, and pharmaceutical research. Additionally, crown ethers have been studied for their potential use in enhancing the solubility of hydrophobic drugs and in drug delivery systems.

InChI:InChI=1/C26H36N2O6/c1-2-6-24-23(5-1)31-17-11-27-9-15-29-21-22-30-16-10-28(12-18-32-24)14-20-34-26-8-4-3-7-25(26)33-19-13-27/h1-8H,9-22H2

Upstream product

• 120-80-9 benzene-1,2-diol 
• 10234-40-9 2,2'-(1,2-phenylenedioxy)diethanol 
• 54535-06-7 bis(o-phenylene)glycol ditosylate 
• 929-59-9 3,6-dioxa-1,8-diaminooctane 
• 95028-97-0 Pb⁽²⁺⁾*C₂₆H₃₆N₂O₆ = Pb(C₂₆H₃₆N₂O₆)⁽²⁺⁾ 
• 31364-42-8 kryptofix 221 
• 80711-27-9 Ag⁽¹⁺⁾*C₂₆H₃₆N₂O₆ = Ag(C₂₆H₃₆N₂O₆)⁽¹⁺⁾ 
• 23978-09-8 [2.2.2]cryptande 
• 80712-57-8 Tl(cryptand(2(B),2(B),2))⁽¹⁺⁾ 

Relevant articles and documents

Formation and uses of europium complexes

The present invention provides a method of forming an oxidatively-stable aqueous Eu(II) complex by synthesizing ligands that coordinate to large, soft, electron rich metals like Eu(II). The invention also provides an oxidatively stable aqueous Eu(II) complex. The complex can be used for a variety of purposes some of which include, but are not limited to, in paramagnetic chemical exchange saturation transfer, as a medical diagnostic, as a semiconductor, and for use in forming materials.

Solvent Dependence of Kinetics and Equilibria of Thallium(I) Cryptates in relation to the Free Energies of Solvation of Thallium(I)

Stability constant and dissociation rate constants of thallium(I) cryptates have been measured in several solvents at 25 deg C.The Tl+ cryptates are more stable and less sensitive to ligand cavity size than the corresponding complexes of the al

Alkaline Earth Cryptates: Dynamics and Stabilities in Different Solvents

The stability constants and rates of formation and dissociation of alkaline earth cryptates with (2,1,1), (2,2,1), (2,2,2), (2B,2,2), and (2B,2B,2) have been measured in several solvents.The stability constants, Ks, are considerably larger and display higher selectivity than those of the monocyclic crown and diaza crown ethers and anionic ionophores.Values of Ks vary by over 10 orders of magnitude in the different solvents, increasing in the order Me2SO d).The rates show no correlation with solvent exchange rates, and are sensitive to cation size, cation-solvent interactions, and ligand flexibility.In strongly solvating media such as Me2SO, rates are up to 106 lower than predicted by a simple Id mechanism.The results suggest that the complexation reaction involves essentially stepwise replacement of solvent by ligand donor atoms, but that even for relatively flexible macrocyclic ligands compensation for loss in solvation by ligand binding energy in the transition state is not complete.