Benzene, (1-cyclohexylethyl)-

Base Information

• Chemical Name: Benzene, (1-cyclohexylethyl)-
• CAS No.: 4413-16-5
• Molecular Formula: C14H20
• Molecular Weight: 188.313
• NSC Number: 172765
• DSSTox Substance ID: DTXSID50305931,DTXSID40871074
• Nikkaji Number: J103.764A
• Mol file: 4413-16-5.mol

Synonyms:Benzene, (1-cyclohexylethyl)-;1-cyclohexylethylbenzene;Ethane, 1-cyclohexyl-1-phenyl-;(1-Cyclohexylethyl)benzene;4413-16-5;1-cyclohexyl-1-phenylethane;1-Phenyl-1-cyclohexylethane;(.alpha.-Methylbenzyl)cyclohexane;NSC172765;(1-Cyclohexylethyl)benzene #;DTXSID40871074;DTXSID50305931;HNBJZFPJDFJMLP-UHFFFAOYSA-N;NSC-172765

Chemical Property of Benzene, (1-cyclohexylethyl)-

Chemical Property:

• Vapor Pressure: 0.0171mmHg at 25°C
• Refractive Index: 1.5490
• Boiling Point: 263.1°C at 760 mmHg
• Flash Point: 106.4°C
• Density: 0.932g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCCCC1)C2=CC=CC=C2

Technology Process of Benzene, (1-cyclohexylethyl)-

There total 22 articles about Benzene, (1-cyclohexylethyl)- 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: 100.0%

1-phenyl-1-cyclohexylethylene (5700-44-7) → 1-ethyl-4-phenylcyclohexane (4413-16-5)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; (R)-2-diphenylphosphino-2'-diphenylphosphinomethyl-1,1'-binaphthyl; In methanol; benzene; at 30 ℃; for 64h; under 19000 Torr;

DOI:10.1016/S0022-328X(96)06712-5

Reference yield: 99.0%

1-cyclohexyl-1-phenylethyl formate → 1-ethyl-4-phenylcyclohexane (4413-16-5)

Guidance literature:

With triethylsilane; C₁₉H₃BF₁₄; In dichloromethane; at 20 ℃; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201902082

Reference yield: 95.0%

C15H19(2)HO2 → 1-ethyl-4-phenylcyclohexane (4413-16-5)

Guidance literature:

With triethylsilane; C₁₉H₃BF₁₄; In dichloromethane; at 20 ℃; for 0.0833333h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201902082

upstream raw materials:

cyclohexyl-phenyl-acetyl chloride

1,1'-ethylidenebis-benzene

cyclohexylmagnesiumchloride

acetophenone

Downstream raw materials:

1,1-Dichlor-2-methyl-2-phenylspiro<2.5>octan

1,1-dicyclohexylethane