2,2-Dimethyl-1-(3-phenyloxiran-2-yl)propan-1-one

Base Information

• Chemical Name: 2,2-Dimethyl-1-(3-phenyloxiran-2-yl)propan-1-one
• CAS No.: 60843-66-5
• Molecular Formula: C13H16 O2
• Molecular Weight: 204.269
• NSC Number: 115518
• DSSTox Substance ID: DTXSID60297318

Synonyms:60843-66-5;2,2-dimethyl-1-(3-phenyloxiran-2-yl)propan-1-one;NSC115518;SCHEMBL7764709;DTXSID60297318;NSC-115518

Chemical Property of 2,2-Dimethyl-1-(3-phenyloxiran-2-yl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.000697mmHg at 25°C
• Boiling Point: 308.1°Cat760mmHg
• Flash Point: 130.8°C
• Density: 1.079g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)C1C(O1)C2=CC=CC=C2

Technology Process of 2,2-Dimethyl-1-(3-phenyloxiran-2-yl)propan-1-one

There total 22 articles about 2,2-Dimethyl-1-(3-phenyloxiran-2-yl)propan-1-one 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: 75.0%

(E)-benzylidenepinacolone (538-44-3,28435-47-4,29569-91-3) → 1,2-epoxy-4,4-dimethyl-1-phenylpentan-3-one (60843-66-5,67175-55-7,84034-03-7,144667-55-0,147250-90-6)

Guidance literature:

With sodium hydroxide; ethylenediaminetetraacetic acid; dihydrogen peroxide; Aliquat 336; In toluene; Ambient temperature;

DOI:10.1039/P19960000343

Reference yield: 71.0%

tert.-butyl lithium (594-19-4) + ((2S,3R)-3-Phenyl-oxiranyl)-pyrrolidin-1-yl-methanone (119163-37-0) → 1,2-epoxy-4,4-dimethyl-1-phenylpentan-3-one (60843-66-5,67175-55-7,84034-03-7,144667-55-0,147250-90-6)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.25h;

DOI:10.1039/P19880002663

Reference yield: 67.0%

4,4-dimethyl-1-phenyl-1-penten-3-one (538-44-3) → 2,2-dimethyl-1-(3-phenyloxiran-2-yl)propan-1-one (60843-66-5)

Guidance literature:

With Isopropylbenzene; potassium carbonate; at 120 ℃; for 6h;

upstream raw materials:

benzaldehyde

1-Bromopinacolon

1,1-dibromo-3,3-dimethylbutan-2-one

(E)-benzylidenepinacolone

Downstream raw materials:

(2R,3S)-3-phenyloxirane-2-carboxylic acid tert-butyl ester

2-hydroxy-4,4-dimethyl-1-phenyl-pentan-3-one

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