1-(2,6-Dimethylphenyl)propan-1-one

Base Information

• Chemical Name: 1-(2,6-Dimethylphenyl)propan-1-one
• CAS No.: 35031-56-2
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.232
• DSSTox Substance ID: DTXSID001295511
• Nikkaji Number: J1.344.518D
• Mol file: 35031-56-2.mol

Synonyms:2',6'-Dimethylpropiophenone;35031-56-2;1-(2,6-dimethylphenyl)propan-1-one;1-(2,6-dimethylphenyl)-1-propanone;SCHEMBL17111287;DTXSID001295511;1-(2,6-Dimethyl-phenyl)-propan-1-one;N14109

Chemical Property of 1-(2,6-Dimethylphenyl)propan-1-one

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(2,6-Dimethylphenyl)propan-1-one

There total 5 articles about 1-(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: 64.0%

propionic acid anhydride (123-62-6) + m-xylene (108-38-3,104809-90-7) → 1-(2,4-dimethyl-phenyl)-propan-1-one (35031-55-1) + 1-(2,6-dimethylphenyl)-1-propanone (35031-56-2) + propionic acid (802294-64-0,79-09-4)

Guidance literature:

With Cl^(1-)*C₅H₁₄NO⁽¹⁺⁾*3ZnCl₂; at 140 ℃; for 0.166667h; Microwave irradiation; Green chemistry;

DOI:10.1039/c6ra03551e

Reference yield: 50.0%

2-Bromo-1-(2,6-dimethyl-phenyl)-propan-1-one → 1-(2,6-dimethylphenyl)-1-propanone (35031-56-2) + (E)-2-(1-bromo-1-propenyl)-1,3-dimethylbenzene + (Z)-2-(1-bromo-1-propenyl)-1,3-dimethylbenzene

Guidance literature:

With 2-bromo-1,3,2-benzodioxaphosphole; hydrogen bromide; In 1,2-dichloro-ethane; at 90 ℃; for 144h; Title compound not separated from byproducts;

DOI:10.1002/prac.19973390134

Reference yield: 50.0%

propionyl chloride (79-03-8) + (2,6-dimethylphenyl)magnesium bromide (21450-64-6) → 1-(2,6-dimethylphenyl)-1-propanone (35031-56-2)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 2.5h;

DOI:10.1016/S0040-4020(00)00370-7

upstream raw materials:

ethylmagnesium bromide

2,6-dimethylbenzoyl chloride

propionyl chloride

(2,6-dimethylphenyl)magnesium bromide