1-Cyclohexyl-3,5-dimethylbenzene

Base Information

• Chemical Name: 1-Cyclohexyl-3,5-dimethylbenzene
• CAS No.: 32406-09-0
• Molecular Formula: C14H20
• Molecular Weight: 188.313
• DSSTox Substance ID: DTXSID70497781
• Nikkaji Number: J914.444G
• Wikidata: Q82347530
• Mol file: 32406-09-0.mol

Synonyms:5-cyclohexyl-1,3-dimethylbenzene;1-cyclohexyl-3,5-dimethylbenzene;32406-09-0;DTXSID70497781;AKOS006293094

Chemical Property of 1-Cyclohexyl-3,5-dimethylbenzene

Chemical Property:

• 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: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Cyclohexyl-3,5-dimethylbenzene

There total 12 articles about 1-Cyclohexyl-3,5-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: 92.0%

m-xylene (108-38-3,104809-90-7) + cyclohexene (110-83-8) → 1,3-dimethyl-5-cyclohexylbenzene (32406-09-0)

Guidance literature:

m-xylene; cyclohexene; With hydrogen fluoride; boron trifluoride; at -10 - 10 ℃; for 0.333333h;

In n-heptane; at 140 ℃; under 3000.3 Torr; Product distribution / selectivity; Heating / reflux;

Reference yield: 1.5%

m-xylene (108-38-3,104809-90-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-phenyl-1-cyclohexane (827-52-1,5379-26-0) + 1,3-dimethyl-5-cyclohexylbenzene (32406-09-0) + cis-3,5,1',3'-tetramethylcyclohexylbenzene

Guidance literature:

With hydrogen; aluminium trichloride; Pd-clay; sodium chloride; at 80 ℃; for 5h; under 73550.8 - 110326 Torr; Product distribution;

DOI:10.1248/cpb.29.15

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;

upstream raw materials:

1-cyclohex-1-en-1-yl-3,5-dimethylbenzene

cyclohexyl tosylate

m-xylene

cyclohexene

Downstream raw materials:

4-(4-Cyclohexyl-2,6-dimethyl-phenylimino)-2,6-dimethyl-cyclohexa-2,5-dienone

p-Benzochinon-4(4'-phenyl-2'.6'-dimethylanil)

3,5-dimethyl-[1,1'-biphenyl]-4-amine

3,5-dimethyl-4-nitro(1,1'-biphenyl)

Refernces

• 1、 -. "PROCESS FOR PRODUCTION OF 5-PHENYLISOPHTHALIC ACID". Page/Page column 8-9. . Retrieved 2009/01/24.
• 2、 Koshel',Lebedeva,Rudkovskii,Krestinina,Koshel',Danilova. "Liquid-Phase Catalytic Oxidation of 2,4-Dimethylbiphenyl". . p. 55 - 59. Retrieved 2007/10/03.