Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-methyl-3,3-diphenyloxiranyl)-

Base Information

• Chemical Name: Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-methyl-3,3-diphenyloxiranyl)-
• CAS No.: 212071-84-6
• Molecular Formula: C20H21NO2
• Molecular Weight: 307.392
• DSSTox Substance ID: DTXSID60448202
• Nikkaji Number: J1.813.438A
• Mol file: 212071-84-6.mol

Synonyms:212071-84-6;Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-methyl-3,3-diphenyloxiranyl)-;DTXSID60448202;2,2-Diphenyl-3-methyl-3-(4,4-dimethyl-2-oxazoline-2-yl)oxirane

Chemical Property of Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-methyl-3,3-diphenyloxiranyl)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 307.157228913
• Heavy Atom Count: 23
• Complexity: 468

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(=N1)C2(C(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C

Technology Process of Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-methyl-3,3-diphenyloxiranyl)-

There total 4 articles about Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-methyl-3,3-diphenyloxiranyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 62.0%

1-(4,4-dimethyl-2-oxazolin-2-yl)-1,2-epoxy-2,2-diphenylethane (181038-11-9) + methyl iodide (74-88-4) → 2-(4,4-dimethyl-2-oxazolin-2-yl)-1,2-epoxy-1,1-diphenylpropane (212071-84-6)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In diethyl ether; 1.) -100 deg C;

DOI:10.1016/S0040-4039(98)01096-X

Reference yield:

(S)-2-Chloro-2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-1,1-diphenyl-propan-1-ol → 2-(4,4-dimethyl-2-oxazolin-2-yl)-1,2-epoxy-1,1-diphenylpropane (212071-84-6)

Guidance literature:

With sodium hydroxide; In isopropyl alcohol; Yield given;

DOI:10.1002/(sici)1099-0690(199902)1999:2<409::aid-ejoc409>3.0.co;2-z

Reference yield:

benzophenone (119-61-9) → 2-(4,4-dimethyl-2-oxazolin-2-yl)-1,2-epoxy-1,1-diphenylpropane (212071-84-6)

Guidance literature:

Multi-step reaction with 2 steps

1: LDA / tetrahydrofuran

2: NaOH / propan-2-ol

With sodium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; isopropyl alcohol;

DOI:10.1002/(sici)1099-0690(199902)1999:2<409::aid-ejoc409>3.0.co;2-z

upstream raw materials:

1-(4,4-dimethyl-2-oxazolin-2-yl)-1,2-epoxy-2,2-diphenylethane

methyl iodide

benzophenone

2-(1-chloroethyl)-4,4-dimethyl-2-oxazoline

Downstream raw materials:

1,2-epoxy-1,1-diphenyl-2-(3,4,4-trimethyl-2-phenyl-1,3-oxazolidin-2-yl)propane

2-(4,4-dimethyl-2-oxazolin-2-yl)-1,1-diphenyl-2-propen-1-ol

3,4-epoxy-3-methyl-4,4-diphenylbutan-2-one

2,3,4,4-Tetramethyl-2-(2-methyl-3,3-diphenyl-oxiranyl)-oxazolidine