1-Cyclohexyl-2,4-dimethylbenzene

Base Information

• Chemical Name: 1-Cyclohexyl-2,4-dimethylbenzene
• CAS No.: 4501-51-3
• Molecular Formula: C14H20
• DSSTox Substance ID: DTXSID401301835
• Nikkaji Number: J914.443I
• Mol file: 4501-51-3.mol

Synonyms:1-Cyclohexyl-2,4-dimethylbenzene;4-Cyclohexyl-m-xylene;1,3-Dimethyl-4-cyclohexylbenzene;DTXSID401301835;1-Cyclohexyl-2,4-dimethylbenzene #;4501-51-3

Chemical Property of 1-Cyclohexyl-2,4-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.0046mmHg at 25°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C2CCCCC2)C

Technology Process of 1-Cyclohexyl-2,4-dimethylbenzene

There total 5 articles about 1-Cyclohexyl-2,4-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:

m-xylene (108-38-3,104809-90-7) + cyclohexanol (108-93-0) → 1,3-dimethyl-4-cyclohexylbenzene (4501-51-3) + 1,3-dimethyl-5-cyclohexylbenzene (32406-09-0) + 1,3-dimethyl-2-cyclohexylbenzene (4501-50-2)

Guidance literature:

With sulfuric acid; at 5 - 8 ℃; for 3h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

1,3-dimethyl-5-cyclohexylbenzene (32406-09-0) → 1,3-dimethyl-4-cyclohexylbenzene (4501-51-3)

Guidance literature:

With aluminium trichloride; at 16.85 - 129.85 ℃; Equilibrium constant; Thermodynamic data;

Reference yield:

cyclohexyl tosylate (953-91-3) + (2,4-dimethylphenyl)magnesium bromide (34589-46-3) → 1,3-dimethyl-4-cyclohexylbenzene (4501-51-3)

Guidance literature:

DOI:10.1557/JMR.2002.0242

upstream raw materials:

cyclohexyl tosylate

(2,4-dimethylphenyl)magnesium bromide

m-xylene

cyclohexanol

Refernces

• 1、 Koshel',Lebedeva,Rudkovskii,Krestinina,Koshel',Danilova. "Liquid-Phase Catalytic Oxidation of 2,4-Dimethylbiphenyl". . p. 55 - 59. Retrieved 2007/10/03.