33561-48-7

Basic information

• Product Name: Oxazole, 4,5-dihydro-5,5-dimethyl-2-phenyl-
• CAS NO: 33561-48-7
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• Mol File: 33561-48-7.mol
• Article Data: 13

Chemical Properties

• CAS DataBase Reference: Oxazole, 4,5-dihydro-5,5-dimethyl-2-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Oxazole, 4,5-dihydro-5,5-dimethyl-2-phenyl-(33561-48-7)
• EPA Substance Registry System: Oxazole, 4,5-dihydro-5,5-dimethyl-2-phenyl-(33561-48-7)

Safety Data

• Hazardous Substances Data: 33561-48-7(Hazardous Substances Data)

Upstream product

• 33561-46-5 N-(2-hydroxy-2-methylpropyl)benzamide 
• 709-25-1 N-(2-methylallyl)benzamide 
• 21384-58-7 2,2-dimethylaziridin-1-yl-phenylmethanone 
• 769-68-6 2-phenylbutanenitrile 
• 86-29-3 Diphenylacetonitrile 
• 92-83-1 xanthene 
• 133523-77-0 5-methyl-2-phenyl-5-((phenylselanyl)methyl)-4,5-dihydrooxazole 
• 64-19-7 acetic acid 
• 15926-45-1 C₁₃H₁₇NO₃ 
• 120-12-7 anthracene 
• 98-88-4 benzoyl chloride 

Downstream Products

• 90776-75-3 Trifluoro-methanesulfonate3,5,5-trimethyl-2-phenyl-4,5-dihydro-oxazol-3-ium; 
• 5202-81-3 N-(2-methyl-1-propen-1-yl)benzamide 
• 90776-85-5 2-{[(2-Hydroxy-2-methyl-propyl)-methyl-amino]-phenyl-methylene}-malonic acid diethyl ester 
• 90776-82-2 (E)-2-Cyano-3-[(2-hydroxy-2-methyl-propyl)-methyl-amino]-3-phenyl-acrylic acid ethyl ester 
• 57440-25-2 N-methyl N-(methyl-2 hydroxy-2)-propyl benzamide 

Relevant articles and documents

Experimental and theoretical rearrangement of N-acyl-2,2- dimethylaziridines in acidic medium

The acid isomerization of N-acyl-2,2-dimethylaziridines 1 in concentrated sulfuric acid at room temperature leads to oxazolines 2 but the neutral hydrolysis of 1 in pure water at room temperature leads to amidoalcohols 3. However, the use of aqueous solutions of H2SO4 at different concentrations at room temperature leads to a mixture of oxazolines 2, amidoalcohols 3 and allylamides 4 with yields depending on the acidity of the medium and the nature of the acyl group. A mechanism has been suggested to explain the formation of these three products. DFT calculations employing the Gaussian 09 program with DFT/B3LYP methods and 6-311++G(2d,2p) basis set were carried out which gave the most stable geometry as well as their atomic charge distributions of compounds 1-4. [Figure not available: see fulltext.]

Isomerisation catalysee par le gel de silice et L'argile activee de N-Acyl-2,2-Dimethylaziridines: Approche mecanistique

Silica gel and activated clay, behaving as Lewis acids, reacted with N-acyl-2,2-dimethylaziridines 1 to lead to pentacoordinated aziridinium silicate ions. The regiospecific ring opening on the CMe2 carbon side of the intermediate I involves, after remova

Competition in the sodium iodide catalysed isomerisation of some aziridines

N-Acyl-2,2-dimethylaziridines have been shown to be isomerised by sodium iodide info three isomers. The yield of these isomers appears to depend on the electronic effect of the acyl group.