1-(2,6-Dimethylphenyl)ethanone

Base Information

• Chemical Name: 1-(2,6-Dimethylphenyl)ethanone
• CAS No.: 2142-76-9
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 2914399090
• European Community (EC) Number: 218-400-0
• DSSTox Substance ID: DTXSID10175692
• Nikkaji Number: J298.725B
• Wikidata: Q72468748
• Mol file: 2142-76-9.mol

Synonyms:2142-76-9;1-(2,6-dimethylphenyl)ethanone;2,6-DIMETHYLACETOPHENONE;2',6'-Dimethylacetophenone;1-(2,6-dimethylphenyl)ethan-1-one;ethanone, 1-(2,6-dimethylphenyl)-;1-(2,6-Dimethyl-phenyl)-ethanone;MFCD01861394;EINECS 218-400-0;2',6'-dimethyl acetophenone;SCHEMBL696352;DTXSID10175692;AMY14356;BBL103447;CL9532;STL557257;AKOS005255315;2,6-(CH3)2C6H3-COCH3;CS-W005839;DS-4529;SY074169;1-(2,6-Dimethylphenyl)ethanone, AldrichCPR;FT-0634062;EN300-113156;A815343;Z1255450644;2 inverted exclamation mark ,6 inverted exclamation mark -Dimethylacetophenone

Chemical Property of 1-(2,6-Dimethylphenyl)ethanone

Chemical Property:

• Melting Point: 24℃ (ethanol )
• Refractive Index: 1.5222 (589.3 nm 20℃)
• Boiling Point: 225.1 °C at 760 mmHg
• Flash Point: 85.6 °C
• PSA: 17.07000
• Density: 0.965 g/cm³
• LogP: 2.50600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

1-(2,6-Dimethylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

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

Technology Process of 1-(2,6-Dimethylphenyl)ethanone

There total 22 articles about 1-(2,6-Dimethylphenyl)ethanone 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%

acetyl chloride (75-36-5) + m-xylene (108-38-3,104809-90-7) → 2',6'-dimethylacetophenone (2142-76-9)

Guidance literature:

With aluminium trichloride; tetrabutylammomium bromide; In dichloromethane; at 30 - 35 ℃; Electrolysis;

DOI:10.1016/j.tetlet.2008.02.084

Reference yield: 80.0%

rac-1-(2,6-dimethylphenyl)ethan-1-ol (19447-06-4,719304-89-9) → 2',6'-dimethylacetophenone (2142-76-9)

Guidance literature:

With tert.-butylhydroperoxide; C₂₄H₂₁ClF₃NRuS; In water; at 50 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1002/aoc.4875

Reference yield: 57.0%

(2,6-dimethylphenyl)trimethylstannane (19962-41-5) + acetyl chloride (75-36-5) → 2',6'-dimethylacetophenone (2142-76-9)

Guidance literature:

With indium; In neat (no solvent); at 20 ℃; for 8h; regioselective reaction; Inert atmosphere; Sonication;

DOI:10.1016/j.ultsonch.2012.10.018

upstream raw materials:

methyl magnesium iodide

2,6-dimethylbenzonitrile

methyl 2,6-dimethylbenzoate

methyllithium

Downstream raw materials:

acetic acid

2-bromo-2',6'-dimethylacetophenone

2-(2,6-dimethylphenyl)-1H-indole

Refernces

• 1、 Qiao, Xin-Chao,Qiu, Dan-Chen,Lin, Nan,Zhu, Jing-Wei,Deng, Wei,Yao, Zi-Jian. "Half-sandwich ruthenium-based versatile catalyst for both alcohol oxidation and catalytic hydrogenation of carbonyl compounds in aqueous media". . . Retrieved 2019/03/17.
• 2、 Lo Fiego, Marcos J.,Badajoz, Mercedes A.,Domini, Claudia,Chopa, Alicia B.,Lockhart, María T.. "Indium-mediated regioselective synthesis of ketones from arylstannanes under solvent-free ultrasound irradiation". . p. 826 - 832. Retrieved 2013/03/14.