(2-Methylcyclohexyl)benzene

Base Information

• Chemical Name: (2-Methylcyclohexyl)benzene
• CAS No.: 17733-68-5
• Molecular Formula: C13H18
• Molecular Weight: 174.286
• DSSTox Substance ID: DTXSID60495690
• Mol file: 17733-68-5.mol

Synonyms:(2-Methylcyclohexyl)benzene;17733-68-5;Benzene, (2-methylcyclohexyl)-;1-methyl-2-phenylcyclohexane;cyclohexane, 1-methyl-2-phenyl;DTXSID60495690

Chemical Property of (2-Methylcyclohexyl)benzene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.140850574
• Heavy Atom Count: 13
• Complexity: 144

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1C2=CC=CC=C2

Technology Process of (2-Methylcyclohexyl)benzene

There total 57 articles about (2-Methylcyclohexyl)benzene 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: 96.0%

2-phenylmethylenecyclohexane (54780-61-9) → cis-1-phenyl-2-methylcyclohexane (1560-00-5,1860-09-9,17733-68-5)

Guidance literature:

With hydrogen; (pentamethylcyclopentadienyl)2SmCH(TMS)2; In Cyclopentane; -196 deg C then 50 deg C, 5 h;

DOI:10.1016/S0022-328X(96)06276-6

Reference yield: 80.0%

cis-5-phenyl-6-methyl-1,3-cyclohexadiene (87764-08-7) → heptylbenzene (1078-71-3) + trans-1-phenyl-2-methylcyclohexane (1560-00-5,1860-09-9,17733-68-5) + cis-1-phenyl-2-methylcyclohexane (1560-00-5,1860-09-9,17733-68-5)

Guidance literature:

With hydrogen; platinum(IV) oxide; In cyclohexane;

DOI:10.1021/jo00174a050

Reference yield: 80.0%

cis-5-phenyl-6-methyl-1,3-cyclohexadiene (87764-08-7) → heptylbenzene (1078-71-3) + trans-1-phenyl-2-methylcyclohexane (1560-00-5,1860-09-9,17733-68-5) + cis-1-phenyl-2-methylcyclohexane (1560-00-5,1860-09-9,17733-68-5)

Guidance literature:

With hydrogen; platinum(IV) oxide; In cyclohexane;

DOI:10.1021/jo00174a050

upstream raw materials:

1-phenyl-2-methylcyclohexanol

trimethylphenylsilane

1-chloro-1-methylcyclohexane

p-methylcyclohexanol

Downstream raw materials:

1-[4-(2-methyl-cyclohexyl)-phenyl]-ethanone