6858-01-1

Basic information

• Product Name: Phenoxy, 2,6-bis(1,1-dimethylethyl)-4-methyl-
• CAS NO: 6858-01-1
• Molecular Formula: C15H23O
• Molecular Weight: 219.347
• Mol File: 6858-01-1.mol
• Article Data: 54

Chemical Properties

• CAS DataBase Reference: Phenoxy, 2,6-bis(1,1-dimethylethyl)-4-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenoxy, 2,6-bis(1,1-dimethylethyl)-4-methyl-(6858-01-1)
• EPA Substance Registry System: Phenoxy, 2,6-bis(1,1-dimethylethyl)-4-methyl-(6858-01-1)

Safety Data

• Hazardous Substances Data: 6858-01-1(Hazardous Substances Data)

Upstream product

• 128-37-0 2,6-di-tert-butyl-4-methyl-phenol 
• 2143-67-1 diphenylaminyl radical 
• 6119-32-0 4-methoxyphenoxyl 
• 3315-32-0 2,4,6-tri-tert-butylphenoxyl 
• 15773-14-5 2,4,6-trimethylphenoxyl radical 
• 23531-69-3 α-tocopheroxyl radical 
• 55147-78-9 bis(bis(trimethylsilyl)amido)tin(II) 
• 50349-73-0 benzotriazole N-oxyl radical 
• 1169875-48-2 6-trifluoromethyl-1H-1,2,3-benzotriazol-N-oxyl 
• 1169875-50-6 C₇H₆N₃O 
• 1310558-96-3 3-quinazolin-4-one-N-oxyl radical 
• 1310558-97-4 3-benzotriazin-4-one-N-oxyl radical 
• 1898-66-4 2,2-diphenyl-1-picrylhydrazyl 
• 147506-92-1 2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl 

Downstream Products

• 1516-94-5 1,2-bis(3,5-di-tert-butyl-4-hydroxyphenyl)ethane 
• 128-37-0 2,6-di-tert-butyl-4-methyl-phenol 
• 2455-14-3 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone 
• 128-38-1 4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl 
• 14387-13-4 2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-4-methyl-2,5-cyclohexadiene-1-one 
• 15773-14-5 2,4,6-trimethylphenoxyl radical 
• 3315-32-0 2,4,6-tri-tert-butylphenoxyl 
• 6119-32-0 4-methoxyphenoxyl 
• 1222630-26-3 C₁₉H₃₃O₂S 
• 1222630-27-4 C₁₉H₃₃O₂Se 
• 23531-69-3 α-tocopheroxyl radical 
• 2179-51-3 4-(2,6-di-tert-butyl-4-methylphenoxy)-2,6-di-tert-butyl-4-methyl-2,5-cyclohexadien-1-one 
• 69892-33-7 2,6-Di-tert-butyl-4-hydroperoxy-4-(4-methoxy-phenyl)-cyclohexa-2,5-dienone 
• 6257-22-3 2,6-di-t-butyl-4-(4-methoxyphenyl)phenol 

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.

Iodine/DMSO promoted oxidation of benzylic Csp3–H bonds to diketones – A mechanistic investigation

This article describes a mechanistic investigation into the I2/DMSO mediated benzylic Csp3–H oxidation of an α-methylene ketone. The electron paramagnetic resonance (EPR) spectrum centred at g = 2.0011 supports the involvement of iodine and benzylic radicals, as the α-iodinated compound 2-iodo-1,2-diphenylethanone was isolated as a key reactive intermediate. The oxidation reaction relies, primarily, on DMSO as a source of oxygen in benzil, proven by the reaction of benzyl phenyl ketone with diphenyl sulfoxide (DPSO).

Antiradical activity of benzazole-2-thiones

Reaction of benzoxazole-2-thione with 3,5-di-tert-butyl-4-hydroxybenzylacetate in methanol affords S-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-mercaptobenzoxazole as the major product. Antiradical activity of S- and N-3,5-di-tert-butyl-4-hydroxybenzyl derivatives of benzothiazole(oxazole, imidazole)-2-thione with respect to 2,2-diphenyl-1-picrylhydrazyl is varies widely. S-Benzyl derivatives exhibit higher reactivity at 30°C.