2-(4-Methylbenzoyl)-3-phenyloxirane

Base Information

• Chemical Name: 2-(4-Methylbenzoyl)-3-phenyloxirane
• CAS No.: 32046-97-2
• Molecular Formula: C₁₆H₁₄O₂
• Molecular Weight: 238.286
• NSC Number: 167273,167209
• DSSTox Substance ID: DTXSID90953915
• Nikkaji Number: J565.598F
• Mol file: 32046-97-2.mol

Synonyms:32046-97-2;NSC167273;4'-methylchalcone oxide;DTXSID90953915;NSC167209;2-(4-Methylbenzoyl)-3-phenyloxirane;NSC-167209;NSC-167273;(4-methylphenyl)(3-phenyloxiran-2-yl)methanone;32157-66-7

Chemical Property of 2-(4-Methylbenzoyl)-3-phenyloxirane

Chemical Property:

• Vapor Pressure: 2.02E-06mmHg at 25°C
• Boiling Point: 394.1°Cat760mmHg
• Flash Point: 181.1°C
• Density: 1.181g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 238.099379685
• Heavy Atom Count: 18
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2C(O2)C3=CC=CC=C3

Technology Process of 2-(4-Methylbenzoyl)-3-phenyloxirane

There total 33 articles about 2-(4-Methylbenzoyl)-3-phenyloxirane 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: 100.0%

(E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one (14802-30-3) → trans-1-(p-methylphenyl)-3-phenyl-2,3-epoxy-1-propanone (32157-66-7,32046-97-2,132490-25-6)

Guidance literature:

With 3,3-dimethyldioxirane; In dichloromethane; acetone; at 20 ℃; for 24h;

Reference yield: 98.0%

3-phenyl-1-p-tolylprop-2-en-1-one (4224-96-8) → 1-p-methylphenyl-3-phenyl-2,3-epoxy-1-propanone (32046-97-2,32157-66-7,132490-25-6)

Guidance literature:

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

Reference yield: 95.0%

(E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one (14802-30-3) → 1-p-methylphenyl-3-phenyl-2,3-epoxy-1-propanone (32046-97-2,32157-66-7,132490-25-6)

Guidance literature:

With C₃₈H₄₆F₆MnN₆O₆S₂; dihydrogen peroxide; Trimethylacetic acid; In water; acetonitrile; at -30 ℃; for 1h; enantioselective reaction;

DOI:10.1021/acs.orglett.5b03309

upstream raw materials:

3-phenyl-1-p-tolylprop-2-en-1-one

(E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one

benzaldehyde

para-methylacetophenone

Downstream raw materials:

2-hydroxy-3-morpholin-4-yl-3-phenyl-1-p-tolyl-propan-1-one

2-Hydroxy-3-phenyl-3-thiocyanato-1-p-tolyl-propan-1-one

5-phenyl-3-(p-tolyl)isoxazole

1,5-Bis-(p-tolyl)-3-phenyl-2,4-bis-phenylmercaptopentan-1,5-dion