149775-71-3

Basic information

• Product Name: O(1),O(3)-BIS(ETHOXYCARBONYLMETHYL)-O(2),O(4)-DIMETHYL-P-TERT-BUTYLCALIX[4]ARENE
• Synonyms: O(1),O(3)-BIS(ETHOXYCARBONYLMETHYL)-O(2),O(4)-DIMETHYL-P-TERT-BUTYLCALIX[4]ARENE
• CAS NO: 149775-71-3
• Molecular Formula: C54H72O8
• Molecular Weight: 849.155
• Mol File: 149775-71-3.mol
• Article Data: 8

Chemical Properties

• Melting Point: 162-164°C
• Boiling Point: 830°C at 760 mmHg
• Flash Point: 317.8°C
• Appearance: /
• Density: 1.06g/cm³
• Vapor Pressure: 1.05E-27mmHg at 25°C
• Refractive Index: 1.532
• CAS DataBase Reference: O(1),O(3)-BIS(ETHOXYCARBONYLMETHYL)-O(2),O(4)-DIMETHYL-P-TERT-BUTYLCALIX[4]ARENE(CAS DataBase Reference)
• NIST Chemistry Reference: O(1),O(3)-BIS(ETHOXYCARBONYLMETHYL)-O(2),O(4)-DIMETHYL-P-TERT-BUTYLCALIX[4]ARENE(149775-71-3)
• EPA Substance Registry System: O(1),O(3)-BIS(ETHOXYCARBONYLMETHYL)-O(2),O(4)-DIMETHYL-P-TERT-BUTYLCALIX[4]ARENE(149775-71-3)

Safety Data

• Hazardous Substances Data: 149775-71-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C54H72O8/c1-17-59-45(55)31-61-49-37-19-33-23-41(51(3,4)5)25-35(47(33)57-15)21-39-29-44(54(12,13)14)30-40(50(39)62-32-46(56)60-18-2)22-36-26-42(52(6,7)8)24-34(48(36)58-16)20-38(49)28-43(27-37)53(9,10)11/h23-30H,17-22,31-32H2,1-16H3

Upstream product

• 1262336-92-4 5,11,17,23-tetra-tert-butyl-25,27-di(ethoxycarbonylmethoxy)-26,28-dihydroxycalix[4]arene 
• 74-88-4 methyl iodide 
• 122406-45-5 24,26-dimethoxy-25,27-dihydroxy-5,11,17,23-tetra(4-tert-butyl)calix[4]arene 
• 623-48-3 ethyl iodoacetae 
• 157432-87-6 5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 
• 105-36-2 ethyl bromoacetate 

Downstream Products

• 136157-98-7 5,11,17,23-tetra-tert-butyl-25,27-dicarboxymethoxy-26,28-dimethoxycalix[4]arene 

Relevant articles and documents

Turn on fluorescence strip based sensor for recognition of Sr2+ and CN? via lowerrim substituted calix[4]arene and its computational investigation

Fluorescence sensor L designed around a calix[4]arene scaffold, bearing two fluorogenic aminoquinoline moities, has been synthesized. It is found to be selective and sensitive towards Sr2+ and CN? over a wide range of cations and anions in a spectrofluorometric study in acetonitrile. The ion-binding property of L was monitored by fluorescence spectroscopy, UV–vis spectroscopy, ESI-MS, 1H NMR, FT-IR investigation and PXRD study. The host L shows a minimum detection limit which is 1.36 nM for Sr2+ and 1.23 nM for CN? having concentration range 5–120 nM and 5–115 nM respectively. The calculated binding constants for L:Sr2+ and L: CN? are respectively 8.859 × 108 M?1 and 8.574 × 108 M?1. Our host L has been utilised in formation of a user-friendly, affordable, and disposable paper-based analytical device (PAD) for rapid chemical screening of Sr2+ and CN? ion via single strip. Moreover, the optimization of probe L has also been done by the MOPAC-2016 software package using NM7 popular method resulting ?21.71 kcals/mol heat of formation and also determined the HOMO-LUMO energy band gap for L, L:Sr2+ and L: CN?. Further, molecular docking score has been calculated using HEX software. The applicability of our probe in real samples containing Sr2+ and CN? has also been checked by emission study with 94–99% recovery.

Bis(spirolactam) 1,3-double-armed calix[4]arene compounds and their application as extractants for the determination of heavy metal ions

A number of double-armed calix[4]arene compounds, with proline-derived spirolactam ligating groups on the lower rim, have been synthesised and investigated as extractants of toxic heavy metal ions from aqueous solution. Pedersen's extraction technique was

Calorimetric investigation of nano-basket's binding

Eleven scaffolds of di-ionizable calix[4]arene conformers bearing two pendant groups of N-phenyl-sulfonyl carboxamides were synthesized and examined using isothermal titration calorimetry. The binding mechanisms of those conformers towards alkali metal ca