Phenethylcyclohexane

Base Information

• Chemical Name: Phenethylcyclohexane
• CAS No.: 1603-61-8
• Molecular Formula: C14H20
• Molecular Weight: 188.313
• Hs Code.: 2902909090
• NSC Number: 134733
• DSSTox Substance ID: DTXSID20936271
• Nikkaji Number: J110.634A
• Wikidata: Q82912469
• Mol file: 1603-61-8.mol

Synonyms:Phenethylcyclohexane;1-Cyclohexyl-2-phenylethane;1603-61-8;2-cyclohexylethylbenzene;1-Phenyl-2-cyclohexylethane;Benzene, (2-cyclohexylethyl)-;Ethane, 1-cyclohexyl-2-phenyl-;(2-Cyclohexylethyl)benzene;Cyclohexylethylbenzene;NSC134733;1-cyclohexyl-2-phenyl-ethane;(2-Cyclohexyl-ethyl)-benzene;(2-Cyclohexylethyl)benzene #;DTXSID20936271;AKOS006316910;NSC-134733;29188-43-0

Chemical Property of Phenethylcyclohexane

Chemical Property:

• Vapor Pressure: 0.00885mmHg at 25°C
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 274.8°Cat760mmHg
• Flash Point: 114°C
• PSA: 0.00000
• Density: 0.919g/cm³
• LogP: 4.19950
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 138

Purity/Quality:

99.5% ^*data from raw suppliers

(2-CYCLOHEXYLETHYL)BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCC2=CC=CC=C2

Technology Process of Phenethylcyclohexane

There total 39 articles about Phenethylcyclohexane 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: 99.0%

1-(2-cyclohexylethynyl)benzene (33414-83-4) → (2-cyclohexyl-ethyl)-benzene (1603-61-8)

Guidance literature:

With ethanol; (^BQ?NC^OP)IrHCl; sodium t-butanolate; at 60 ℃; for 10h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.8b01038

Reference yield: 97.0%

(E)-(2-cyclohexylvinyl)benzene (18869-27-7) → (2-cyclohexyl-ethyl)-benzene (1603-61-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; at 20 ℃; for 8h;

Reference yield: 88.0%

1,1'-(1,2-ethanediyl)bisbenzene (103-29-7) → (2-cyclohexyl-ethyl)-benzene (1603-61-8) + 1,2-dicyclohexylethane (3321-50-4)

Guidance literature:

With MmNi_3.5Co_0.7Al_0.8H₄; at 160 ℃; for 3h; under 3677.5 Torr;

DOI:10.1246/cl.1994.431

upstream raw materials:

1,1-Dibrom-2-cyclohexylethylen

benzene

styrene

phenanthrene

Downstream raw materials:

4-(2-cyclohexyl-ethyl)-benzenesulfonyl chloride

2-(1,1-dicyanopropen-2-yl)-6-(2-(4-(2-cyclohexyl)ethyl)benzenesulfonyloxyethyl)methylamino-naphthalene

[5'-O-triphenylmethyl-2'-deoxy-3'-O-(4-(2-cyclohexylethyl)benzenesulfonyl)-β-D-threopentofuranosyl]thymine