3-Chloro-1-(4,5-dichloro-2-methylphenyl)-1-propanone

Base Information

• Chemical Name: 3-Chloro-1-(4,5-dichloro-2-methylphenyl)-1-propanone
• CAS No.: 42803-19-0
• Molecular Formula: C₁₀H₉Cl₃O
• Molecular Weight: 251.54
• European Community (EC) Number: 610-061-0
• DSSTox Substance ID: DTXSID701220084
• Mol file: 42803-19-0.mol

Synonyms:SCHEMBL9321567;3-Chloro-1-(4,5-dichloro-2-methylphenyl)-1-propanone;DTXSID701220084;42803-19-0

Chemical Property of 3-Chloro-1-(4,5-dichloro-2-methylphenyl)-1-propanone

Chemical Property:

• Vapor Pressure: 8.93E-06mmHg at 25°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 249.971898
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C(=O)CCCl)Cl)Cl

Technology Process of 3-Chloro-1-(4,5-dichloro-2-methylphenyl)-1-propanone

There total 2 articles about 3-Chloro-1-(4,5-dichloro-2-methylphenyl)-1-propanone 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:

3,4-Dichlorotoluene (95-75-0) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-1-(4,5-dichloro-2-methyl-phenyl)-propan-1-one (42803-19-0)

Guidance literature:

With aluminium trichloride; at 80 - 90 ℃;

DOI:10.1021/jo01165a014

Reference yield:

→ 3-chloro-1-(4,5-dichloro-2-methyl-phenyl)-propan-1-one (42803-19-0)

Guidance literature:

β-Chlorpropionylchlorid, 3,4-Dichlortoluol;

Reference yield:

3-chloro-1-(4,5-dichloro-2-methyl-phenyl)-propan-1-one (42803-19-0) + potassium phtalimide (1074-82-4) → N-[3-(4,5-dichloro-2-methyl-phenyl)-3-oxo-propyl]-phthalimide

Guidance literature:

at 145 ℃;

DOI:10.1021/jo01165a014

upstream raw materials:

3,4-Dichlorotoluene

2-chloropropionyl chloride