2-(3,4-Dichloro-phenyl)-oxirane

Base Information

• Chemical Name: 2-(3,4-Dichloro-phenyl)-oxirane
• CAS No.: 52909-94-1
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 2910900090
• European Community (EC) Number: 676-173-7
• DSSTox Substance ID: DTXSID20542856
• Mol file: 52909-94-1.mol

Synonyms:2-(3,4-Dichloro-phenyl)-oxirane;52909-94-1;2-(3,4-dichlorophenyl)oxirane;AC-6624;SCHEMBL749492;SCHEMBL25831573;DTXSID20542856;HIOFHWTUAOODBJ-UHFFFAOYSA-N;CCA90994;MFCD07784084;AKOS000180851;AKOS016846080;A7716;AM20040636;CS-0171052;EN300-718700

Chemical Property of 2-(3,4-Dichloro-phenyl)-oxirane

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 264.2°Cat760mmHg
• Flash Point: 142.6°C
• PSA: 12.53000
• Density: 1.428g/cm³
• LogP: 3.06470
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

2-(3,4-Dichlorophenyl)oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3,4-Dichloro-phenyl)-oxirane

There total 5 articles about 2-(3,4-Dichloro-phenyl)-oxirane 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: 38.4%

2-bromo-1-(3,4-dichlorophenyl)ethanone (2632-10-2) → 2-(3,4-dichlorophenyl)oxirane (52909-94-1)

Guidance literature:

2-bromo-1-(3,4-dichlorophenyl)ethanone; With sodium tetrahydroborate; In methanol; at 0 ℃;

With potassium carbonate;

DOI:10.1002/adsc.202000898

Reference yield:

3,4-dichlorostyrene (2039-83-0) → 2-(3,4-dichlorophenyl)oxirane (52909-94-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 15h;

DOI:10.1021/jm970326r

Reference yield:

1-(3,4-dichlorophenyl)ethan-1-ol (1475-11-2) → 2-(3,4-dichlorophenyl)oxirane (52909-94-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / TsOH / benzene / 4 h

2: 3-chloroperbenzoic acid / CH₂Cl₂ / 15 h / 0 - 20 °C

With toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; benzene;

DOI:10.1021/jm970326r

upstream raw materials:

2-bromo-1-(3,4-dichlorophenyl)ethanone

3,4-dichlorostyrene

1-(3,4-dichlorophenyl)ethan-1-ol

3',4'-dichloroacetophenone

Downstream raw materials:

2-[2-(2-Chloro-phenyl)-ethylamino]-1-(3,4-dichloro-phenyl)-ethanol

2-diethylamino-1-(3,4-dichloro-phenyl)-ethanol

2-dibutylamino-1-(3,4-dichloro-phenyl)-ethanol

2-Diallylamino-1-<3,4-dichlor-phenyl>-aethanol