1-(4-Chloro-2,6-dimethylphenyl)propan-1-one

Base Information

• Chemical Name: 1-(4-Chloro-2,6-dimethylphenyl)propan-1-one
• CAS No.: 107076-10-8
• Molecular Formula: C₁₁H₁₃ClO
• Molecular Weight: 196.677
• DSSTox Substance ID: DTXSID301260381
• Mol file: 107076-10-8.mol

Synonyms:1-(4-CHLORO-2,6-DIMETHYLPHENYL)PROPAN-1-ONE;107076-10-8;SCHEMBL9720561;DTXSID301260381;1-(4-Chloro-2,6-dimethylphenyl)-1-propanone

Chemical Property of 1-(4-Chloro-2,6-dimethylphenyl)propan-1-one

Chemical Property:

• Boiling Point: 295.8±35.0 °C(Predicted)
• Density: 1.080±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.0654927
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

1-(4-Chloro-2,6-dimethylphenyl)propan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=C(C=C1C)Cl)C

Technology Process of 1-(4-Chloro-2,6-dimethylphenyl)propan-1-one

There total 1 articles about 1-(4-Chloro-2,6-dimethylphenyl)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: 95.0%

1-(4-chloro-2,6-dimethylphenyl)propan-1-ol (1034980-68-1) → 1-(4-chloro-2,6-dimethylphenyl)propan-1-one (107076-10-8)

Guidance literature:

With Celite; pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jm8000778

Reference yield: 63.9%

1-(4-chloro-2,6-dimethylphenyl)propan-1-one (107076-10-8) + oxalic acid diethyl ester (95-92-1) → ethyl 4-(4-chloro-2,6-dimethylphenyl)-3-methyl-2,4-dioxobutanoate (1034980-69-2)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1021/jm8000778

upstream raw materials:

1-(4-chloro-2,6-dimethylphenyl)propan-1-ol

Downstream raw materials:

ethyl 4-(4-chloro-2,6-dimethylphenyl)-3-methyl-2,4-dioxobutanoate

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