20137-66-0

Basic information

• Product Name: Phenoxy, 4-cyano-2,6-bis(1,1-dimethylethyl)-
• CAS NO: 20137-66-0
• Molecular Formula: C15H20NO
• Molecular Weight: 230.33
• Mol File: 20137-66-0.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: Phenoxy, 4-cyano-2,6-bis(1,1-dimethylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenoxy, 4-cyano-2,6-bis(1,1-dimethylethyl)-(20137-66-0)
• EPA Substance Registry System: Phenoxy, 4-cyano-2,6-bis(1,1-dimethylethyl)-(20137-66-0)

Safety Data

• Hazardous Substances Data: 20137-66-0(Hazardous Substances Data)

Usage

General Description

Phenoxy, 4-cyano-2,6-bis(1,1-dimethylethyl)- is a chemical compound that is commonly used in the pharmaceutical and agricultural industries. It is known for its herbicidal properties, making it effective in controlling the growth of weeds and unwanted plants. Phenoxy, 4-cyano-2,6-bis(1,1-dimethylethyl)- is also used in the synthesis of other chemicals and has applications in the production of plastics and polymers. Phenoxy, 4-cyano-2,6-bis(1,1-dimethylethyl)- is considered to be relatively safe when handled properly, but precautions should be taken to avoid skin contact or inhalation of its fumes.

Upstream product

• 1988-88-1 2,6-di-tert-butyl-4-cyanophenol 
• 55147-78-9 bis(bis(trimethylsilyl)amido)tin(II) 
• 59863-12-6 bis[bis(trimethylsilyl)amino]germanium(II) 
• 787-13-3 3,5-di-tert-butyl-4-hydroxybenzaldehyde oxime 
• 952741-61-6 C₁₅H₂₀⁽²⁾HNO 

Downstream Products

• 97924-12-4 3,5-Di-tert.-butyl-p-benzochinonmonoxim-(4-oxo-3,5-di-tert.-butyl-1-cyan-cyclohexadien-(2,5)-yl)-aether 
• 1988-88-1 2,6-di-tert-butyl-4-cyanophenol 
• 76056-16-1 3,5-Di-tert-butyl-1-hydroperoxy-4-oxo-cyclohexa-2,5-dienecarbonitrile 

Relevant articles and documents

Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex

The high-valent nickel(iii) complex Ni(pyalk)2+ (2) was prepared by oxidation of a nickel(ii) complex, Ni(pyalk)2 (1) (pyalk = 2-pyridyl-2-propanoate). 2 and derivatives were fully characterized by mass spectrometry and X-ray crystallography. Electron paramagnetic resonance spectroscopy and X-ray photoelectron spectroscopy confirm that the oxidation is metal-centered. 2 was found to react with a variety of phenolic and hydrocarbon substrates. A linear correlation between the measured rate constant and the substrate bond dissociation enthalpy (BDE) was found for both phenolic and hydrocarbon substrates. Large H/D kinetic isotope effects were also observed for both sets of substrates. These results suggest that 2 reacts through concerted proton-electron transfer (CPET). Analysis of measured thermodynamic parameters allows us to calculate a bond dissociation free energy (BDFE) of ～91 kcal mol-1 for the O-H bond of the bound pyalk ligand. These findings may shed light onto CPET steps in oxidative catalysis and have implications for ligand design in catalytic systems.

A cobalt(ii) iminoiodane complex and its scandium adduct: Mechanistic promiscuity in hydrogen atom abstraction reactions

In addition to oxometal [Mn+O] and imidometal [Mn+NR] units, transient metal-iodosylarene [M(n-2)+-OIPh] and metal-iminoiodane [M(n-2)+-N(R)IPh] adducts are often invoked as a possible second oxidant responsible for the oxo and imido group transfer reactivity. Although a few metal-iodosylarene adducts have been recently isolated and/or spectroscopically characterized, metal-iminoiodane adducts have remained elusive. Herein, we provide UV-Vis, EPR, NMR, XAS and DFT evidence supporting the formation of a metal-iminoiodane complex 2 and its scandium adduct 2-Sc. 2 and 2-Sc are reactive toward substrates in the hydrogen-atom and nitrene transfer reactions, which confirm their potential as active oxidants in metal-catalyzed oxidative transformations. Oxidation of para-substituted 2,6-di-tert-butylphenols by 2 and 2-Sc can occur by both coupled and uncoupled proton and electron transfer mechanisms; the exact mechanism depends on the nature of the para substituent.

Abnormal solvent effects on hydrogen atom abstractions. 1. The reactions of phenols with 2,2-diphenyl-1-picrylhydrazyl (dpph?) in alcohols

Rate constants, kArOH/dpph?,s, for hydrogen atom abstraction from 13 hindered and nonhindered phenols by the diphenylpicrylhydrazyl radical, dpph?, have been determined in n-heptane and a number of alcoholic and nonalcoholic, hydrogen-bond accepting solvents. Abnormally enhanced values of kArOH/dpph?,s have been observed in alcohols. It is proposed that this is due to partial ionization of the phenols and a very fast electron transfer from phenoxide anion to dpph?. The popular assessment of the antioxidant activities of phenols with dpph? in alcohol solvents will generally lead to an overestimation of their activities.