Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-

Base Information

• Chemical Name: Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-
• CAS No.: 60031-37-0
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• DSSTox Substance ID: DTXSID10485667
• Nikkaji Number: J1.170.130B
• Wikidata: Q82325049

Synonyms:60031-37-0;Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-;DTXSID10485667

Chemical Property of Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 288

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(=N1)C(=O)C2=CC=CC=C2)C

Technology Process of Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-

There total 3 articles about Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl- 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: 70.0%

4,4-dimethyl-2-oxazoline (30093-99-3) + benzoyl chloride (98-88-4) → (4,4-dimethyl-2-oxazolin-2-yl)phenylketone (60031-37-0)

Guidance literature:

4,4-dimethyl-2-oxazoline; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h; Inert atmosphere;

With zinc(II) chloride; In tetrahydrofuran; diethyl ether; hexane; at -78 - 0 ℃; Inert atmosphere;

benzoyl chloride; Further stages;

DOI:10.1016/j.tet.2009.08.040

Reference yield: 64.0%

C5H8ClNOZn + benzoyl chloride (98-88-4) → (4,4-dimethyl-2-oxazolin-2-yl)phenylketone (60031-37-0)

Guidance literature:

With CCl₂CuLi₂N; In tetrahydrofuran; at -40 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c5cc01144b

Reference yield:

2-benzyl-4,4-dimethyl-2-oxazoline (1569-08-0) → (4,4-dimethyl-2-oxazolin-2-yl)phenylketone (60031-37-0)

Guidance literature:

Multistep reaction; (i) nBuLi, THF, hexane, (ii) O₂;

DOI:10.1021/jo00884a039

upstream raw materials:

2-benzyl-4,4-dimethyl-2-oxazoline

4,4-dimethyl-2-oxazoline

benzoyl chloride

Downstream raw materials:

1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-1,3-diphenyl-prop-2-yn-1-ol

1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-1-phenyl-ethanol

1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-2,2-dimethyl-1-phenyl-propan-1-ol

1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-1-phenyl-propan-1-ol

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