1264-58-0

Basic information

• Product Name: Phenol, 4-(1,1-dimethylethyl)-2,6-bis[[5-(1,1-dimethylethyl)-3-[[5-(1,1-dimethyl)-2 -hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-
• CAS NO: 1264-58-0
• Molecular Formula: C54H70O5
• Molecular Weight: 799.147
• Mol File: 1264-58-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Phenol, 4-(1,1-dimethylethyl)-2,6-bis[[5-(1,1-dimethylethyl)-3-[[5-(1,1-dimethyl)-2 -hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 4-(1,1-dimethylethyl)-2,6-bis[[5-(1,1-dimethylethyl)-3-[[5-(1,1-dimethyl)-2 -hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-(1264-58-0)
• EPA Substance Registry System: Phenol, 4-(1,1-dimethylethyl)-2,6-bis[[5-(1,1-dimethylethyl)-3-[[5-(1,1-dimethyl)-2 -hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-(1264-58-0)

Safety Data

• Hazardous Substances Data: 1264-58-0(Hazardous Substances Data)

Usage

General Description

The chemical compound "Phenol, 4-(1,1-dimethylethyl)-2,6-bis[[5-(1,1-dimethylethyl)-3-[[5-(1,1-dimethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-" is a complex molecule with multiple branches that contain tert-butyl groups and hydroxyphenyl groups. It features a central phenol ring with multiple hydroxyl groups attached to it, as well as additional tert-butyl groups and methyl groups. Phenol, 4-(1,1-dimethylethyl)-2,6-bis[[5-(1,1-dimethylethyl)-3-[[5-(1,1-dimethyl)-2 -hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]- is highly branched and contains a combination of hydrophobic and hydrophilic groups, making it potentially useful in various chemical applications. The specific arrangement and composition of the molecule contribute to its unique properties and potential uses in research or industrial processes.

Upstream product

• 810-52-6 4-(tert-butyl)-2,6-bis{[5-(tert-butyl)-2-hydroxyphenyl]methyl}phenol 
• 100059-64-1 4-hydroxy-3,5-bis(hydroxymethyl)benzoic acid ethyl ester 
• 2203-14-7 4-tert-butyl-2,5-bis(hydroxymethyl)phenol 
• 98-54-4 para-tert-butylphenol 
• 6638-87-5 4-(tert-butyl)-2-(hydroxymethyl)phenol 
• 1431-05-6 C₅₄H₆₈Cl₂O₅ 
• 799-13-3 bis(5-tert-butyl-2-hydroxyphenyl)methane 
• 10339-95-4 4-(tert-butyl)-2,6-bis(chloromethyl)phenol 

Downstream Products

• 149790-49-8 Acetic acid 2,6-bis-[2-acetoxy-3-(2-acetoxy-5-tert-butyl-benzyl)-5-tert-butyl-benzyl]-4-tert-butyl-phenyl ester 

Relevant articles and documents

ipso-substitution reaction in the convergent stepwise synthesis of calix[8]arene with regioselectively functionalized upper rim

The acid-catalyzed multi-step synthesis of calix[8]arene 1, which contains a regioselectively functionalized upper rim, has been investigated through the careful separation of the resulting by-products. A total of 11 types of cyclic and acyclic by-products were isolated and identified by spectral and microanalytical data. Semiempirical molecular-orbital calculations demonstrated that the synthetic process involves two types of reaction mechanism, one of which leads to the favorably constructed framework, while the other results in undesirable fragmentation reactions via ipso-substitution. A Comparison of the theoretical predictions and the observed by-products revealed that steric hindrance, as well as the regioselectivity of the reaction, is also an important factor for determining the reaction pathway. A possible rationale is presented to explain the overall formation process leading to calix[8]arene 1 along with the by-products.