171058-95-0

Basic information

• Product Name: 4-TERT-BUTYL-CALIX[4]ARENE-CROWN-4-COMPLEX
• Synonyms: 4-TERT-BUTYL-CALIX[4]ARENE-CROWN-4-COMPLEX;4-TERT-BUTYLCALIX(4)-CROWN-4;5,11,17,23-Tetrakis(1,1-dimethyl)-25,26-dihydroxy-27,28-crown-4-calix[4]arene;4-TERT-BUTYL-CALIX[4]ARENE-CROWN-4-COMPLEX 98%;4-tert-Butyl-calix[4]arene-crown-4-complex,98%
• CAS NO: 171058-95-0
• Molecular Formula: C₅₀H₆₆O₆
• Molecular Weight: 592.81
• Mol File: 171058-95-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 736.55°C (rough estimate)
• Flash Point: 417.3°C
• Appearance: /
• Density: 0.9521 (rough estimate)
• Vapor Pressure: 2.48E-24mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• CAS DataBase Reference: 4-TERT-BUTYL-CALIX[4]ARENE-CROWN-4-COMPLEX(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYL-CALIX[4]ARENE-CROWN-4-COMPLEX(171058-95-0)
• EPA Substance Registry System: 4-TERT-BUTYL-CALIX[4]ARENE-CROWN-4-COMPLEX(171058-95-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• Hazardous Substances Data: 171058-95-0(Hazardous Substances Data)

Usage

Chemical Properties

white to almost white fine crystalline powder

InChI:InChI=1/C50H66O6/c1-47(2,3)39-23-31-19-35-27-41(49(7,8)9)29-37-21-33-25-40(48(4,5)6)26-34(44(33)52)22-38-30-42(50(10,11)12)28-36(20-32(24-39)43(31)51)46(38)56-18-16-54-14-13-53-15-17-55-45(35)37/h23-30,51-52H,13-22H2,1-12H3

Upstream product

• 157432-87-6 5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 
• 19249-03-7 triethylene glycol di-(p-toluenesulfonate) 

Downstream Products

• 1185010-07-4 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-bis[N-(4-nitrobenzenesulfonyl)carbamoylmethoxy]calix[4]arene-1,3-crown-4 
• 1185010-05-2 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-bis-[N-(benzenesulfonyl)carbamoylmethoxy]calix[4]arene-1,3-crown-4 

Relevant articles and documents

Synthesis and characterization of p-t-butyl calix[4]crown-4 and its double calix[4]arene dimer

The preparation, separation, characterization and crystal structure determinations of the 1+1 and 2+2 condensation products, p-t-butyl calix[4]crown-4 (1) and its dimer double calix[4]arene double crown-4 (2), resulting from the reaction of p-t-butylcalix[4]arene with triethylene glycol ditosylate in the presence of a base are reported.

Synthesis and evaluation of novel 1, 3-bridged calix[4]arene-crown ethers for selective interaction with Na+/K+ cations

Calix[4]arenes possessing electron-donating groups (OH and OR) at the lower rim when reacted with tosylated polyethers under basic conditions give the corresponding 1, 3-disubstituted calix[4]arene-crown ethers 2a-2h, in good yields. The binding properties of the synthesized 1, 3-bridged calix[4]arene-crown ethers for alkali metal cations have been investigated by atomic emission spectrometric analysis. It has been observed that recognition of sodium and potassium varies with the size of the polyether chain as well as the substituents on the free phenolics of the calix[4]arene-crown ether. The potassium/ sodium selectivity seems to be governed primarily by the size of the crown ring, relative hydrophobicity and cation-pinteraction capability to give efficiency order as 2a, 2d>2 h>2c, 2e>2b, 2f>2 g.

Facile synthesis of cone p-tert-butylcalix[4]arene-crown conformers

The series of p-tert-butylcalix[4]arene-crowns in the cone conformation was synthesised in high yields under conditions producing disubstituted calix[4]arenes in the presence of K2CO3 in acetonitrile; the formation of calix-bis(crown)s and doubly(calix)-doubly(crown) in these reactions was established.