139656-59-0

Basic information

• Product Name: Benzoxazole, 7-(1,1-dimethylethyl)-2,5-dimethyl-
• CAS NO: 139656-59-0
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• Mol File: 139656-59-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzoxazole, 7-(1,1-dimethylethyl)-2,5-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoxazole, 7-(1,1-dimethylethyl)-2,5-dimethyl-(139656-59-0)
• EPA Substance Registry System: Benzoxazole, 7-(1,1-dimethylethyl)-2,5-dimethyl-(139656-59-0)

Safety Data

• Hazardous Substances Data: 139656-59-0(Hazardous Substances Data)

Upstream product

• 128-37-0 2,6-di-tert-butyl-4-methyl-phenol 
• 75-05-8 acetonitrile 

Relevant articles and documents

Reactions of Phenols with Thianthrene Cation Radical

The phenols 2-R1-6-R2-phenol 1a-g in which R1 = R2 = tert-butyl, methyl, isopropyl, Cl, Br, F, and H reacted with thianthrene cation radical perchlorate (TH+ClO4-) to give 5-(4-hydroxyaryl)thianthreniumyl perchlorates 2a-g in good yield. o-Allylphenol (1i) behaved similarly. o-tert-Butylphenol (1h) gave both 5-(3-tert-butyl-4-hydroxyphenyl)thianthreniumyl perchlorate (2h) and a quinonoidal perchlorate (3), namely, 5-(3-thianthreniumyl-5-tert-butyl-6-oxo-2,4-cyclohexadien-1-ylidene)-5,5-dihydrothianthrene perchlorate.The 2,6-di-tert-butyl-4-R3-phenols 4a-c, R3 = tert-butyl, methoxy, and methyl, reacted with Th+ClO4- in nitrile solvents (RCN) to give 2-R-5-R3-7-tert-butylbenzoxazoles 5a-e.The tert-butyl group that was displaced by RCN in forming 5 was converted into t-BuNHCOR (8), tert-butyl alcohol, and isobutene.In contrast, 2-tert-butyl-4,6-dimethylphenol (9) gave, in CH3CN, 4-tert-butyl-2,5,7-trimethylbenzoxazole (11), that is, with migration of the displaced tert-butyl group.The reactions of 4-tert-butylphenol (14) and 2,4-di-tert-butylphenol (17) are also described.