1-Ethyl-2,3-dimethylbenzene

Base Information

• Chemical Name: 1-Ethyl-2,3-dimethylbenzene
• CAS No.: 933-98-2
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• European Community (EC) Number: 213-275-9
• UNII: L57QY9G73K
• DSSTox Substance ID: DTXSID00865479
• Nikkaji Number: J132.717H
• Wikidata: Q63399103
• Mol file: 933-98-2.mol

Synonyms:1-Ethyl-2,3-dimethylbenzene;3-Ethyl-o-xylene;933-98-2;1,2-DIMETHYL-3-ETHYLBENZENE;Ethylxylene;Benzene, 1-ethyl-2,3-dimethyl-;o-Xylene, 3-ethyl-;Benzene, ethyldimethyl-;Ethyldimethylbenzene;29224-55-3;3-Ethyl-1,2-dimethylbenzene;L57QY9G73K;EINECS 213-275-9;Xylene, ethyl-;2,3-Dimethylethylbenzene;UNII-L57QY9G73K;1,2-Dimethyl-3-ethyl benzene;DTXSID00865479;MFCD00059232;AB92228;E0280;FT-0743565;T73080;J-504596;Q63399103;2-(4-ACETYL-2,3-DIHYDRO-5-METHYL-2-OXO-1H-PYRROL-3-YL)ACETICACID

Chemical Property of 1-Ethyl-2,3-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.695mmHg at 25°C
• Melting Point: -50 °C
• Boiling Point: 194 °C
• Flash Point: 51 °C
• PSA: 0.00000
• Density: 0.89
• LogP: 2.86580
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 96.2

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC(=C1C)C

Technology Process of 1-Ethyl-2,3-dimethylbenzene

There total 9 articles about 1-Ethyl-2,3-dimethylbenzene 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: 33.0%

r-2-ethyl-2,c-3-dimethyl-3-trimethylstannylcyclohexanone → 3-ethyl-o-xylene (933-98-2)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; at 0 ℃; for 0.166667h;

DOI:10.1246/bcsj.66.1258

Reference yield: 10.0%

4-methyl-4-phenylcyclohex-2-enone (17429-36-6) → 1-Methyl-3-ethylbenzene (620-14-4) + 2-Ethyltoluene (611-14-3) + m-diethylbenzene (141-93-5) + 1,4-diethylbenzene (105-05-5) + ortho-diethylbenzene (253185-02-3,135-01-3) + 3-ethyl-o-xylene (933-98-2)

Guidance literature:

With chloranil; Product distribution; 1.) 510 deg C, 12 Torr; 2.) benzene, reflux, 20 h; other conditions investigated;

DOI:10.1002/hlca.19810640319

Reference yield:

1-(2,3-dimethyl-phenyl)-ethanone (2142-71-4) → 3-ethyl-o-xylene (933-98-2)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

upstream raw materials:

cis-1-isopropyl-4-methyl-cyclohexane

1-(2,3-dimethyl-phenyl)-ethanone

4-methyl-4-phenylcyclohex-2-enone

2,3-dimethylbromobenzene

Refernces

• 1、 Fujiwara, Jun,Sato, Tadashi. "Dependence of the Lewis Acid-Induced Reaction of β-Stannyl Ketones upon Substitution Pattern: Cyclopropanation versus 1,2-Alkyl Migration". . p. 1258 - 1264. Retrieved 2007/10/02.
• 2、 -. "Process for the preparation of substituted vinylbenzyl chloride". . . Retrieved 2008/06/13.