Cyclopentylbenzene

Base Information

• Chemical Name: Cyclopentylbenzene
• CAS No.: 700-88-9
• Molecular Formula: C11H14
• Molecular Weight: 146.232
• European Community (EC) Number: 621-841-5
• NSC Number: 127028
• DSSTox Substance ID: DTXSID50220271
• Nikkaji Number: J79.915G
• Wikidata: Q83097423
• ChEMBL ID: CHEMBL3278513
• Mol file: 700-88-9.mol

Synonyms:Cyclopentylbenzene;700-88-9;Benzene, cyclopentyl-;Phenylcyclopentane;Cyclopentane, phenyl-;NSC127028;CYCLOPENTYL-BENZENE;1-CYCLOPENTYLBENZENE;CHEMBL3278513;DTXSID50220271;AKOS006281246;NSC 127028;NSC-127028;FT-0693184

Chemical Property of Cyclopentylbenzene

Chemical Property:

• Vapor Pressure: 0.161mmHg at 25°C
• Refractive Index: 1.5280
• Boiling Point: 221.2°C at 760 mmHg
• Flash Point: 79.4°C
• PSA: 0.00000
• Density: 0.956g/cm³
• LogP: 3.34420
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 146.109550447
• Heavy Atom Count: 11
• Complexity: 105

Purity/Quality:

99%min ^*data from raw suppliers

Cyclopentylbenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(C1)C2=CC=CC=C2

Technology Process of Cyclopentylbenzene

There total 107 articles about Cyclopentylbenzene 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%

cyclopent-1-en-1-ylbenzene (825-54-7) → cyclopentylbenzene (700-88-9)

Guidance literature:

cyclopent-1-en-1-ylbenzene; With lithium triethylborohydride; cobalt(II) bromide; In tetrahydrofuran; Inert atmosphere; Glovebox;

With hydrogen; In tetrahydrofuran; at 20 ℃; for 3h; under 1500.15 Torr;

DOI:10.1002/chem.201705366

Reference yield: 82.0%

1-phenyl-1-cyclopentanecarboxylic acid (77-55-4) → cyclopentylbenzene (700-88-9)

Guidance literature:

With 2,6-dimethylpyridine; 4,4'-dichlorodiphenyl disulfide; 10-methyl-9-(2,4,6-trimethylphenyl) acridinium tetrafluoroborate; In 1,2-dichloro-ethane; at 20 ℃; for 14h; Irradiation; Inert atmosphere;

DOI:10.1021/ol5019294

Reference yield: 63.0%

Cyclopentyl bromide (137-43-9) + bromobenzene (108-86-1,52753-63-6) → biphenyl (92-52-4,1594-86-1) + Cyclopentane (287-92-3) + cyclopentylbenzene (700-88-9) + bicyclopentyl (1636-39-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 4,4'-Dimethoxy-2,2'-bipyridin; NiI₂*3.5H₂O; sodium iodide; zinc; at 20 - 60 ℃; for 25h; chemoselective reaction;

DOI:10.1021/ja301769r

upstream raw materials:

1-phenylcyclopentanol

cyclopent-1-en-1-ylbenzene

cyclopentylcyclohexane

5-chloropentylbenzene

Downstream raw materials:

5-(4-cyclopentyl-phenyl)-5-oxo-valeric acid ethyl ester

pentylbenzene

2-phenylpentane

(1-ethylpropyl)benzene

Refernces

• 1、 Sandl, Sebastian,Maier, Thomas M.,Van Leest, Nicolaas P.,Kr?ncke, Susanne,Chakraborty, Uttam,Demeshko, Serhiy,Koszinowski, Konrad,De Bruin, Bas,Meyer, Franc,Bodensteiner, Michael,Herrmann, Carmen,Wolf, Robert,Von Jacobi Wangelin, Axel. "Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates". . p. 7596 - 7606. Retrieved 2019/08/20.
• 2、 Aminov,Mazitova,Khusnutdinov. "Benzene Alkylation with Cycloolefins under the Action of [Et3NH]+[Al2Cl7]? Ionic Liquid". . p. 2171 - 2177. Retrieved 2020/01/08.