Butylcyclopentane

Base Information

• Chemical Name: Butylcyclopentane
• CAS No.: 2040-95-1
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• Hs Code.: 2902199090
• European Community (EC) Number: 218-040-4
• NSC Number: 74179
• UNII: 6E6J1J5JP6
• DSSTox Substance ID: DTXSID00174351
• Nikkaji Number: J43.289J
• Wikidata: Q83044423
• Metabolomics Workbench ID: 5362
• Mol file: 2040-95-1.mol

Synonyms:Butylcyclopentane;Cyclopentane, butyl-;2040-95-1;n-Butylcyclopentane;6E6J1J5JP6;EINECS 218-040-4;NSC 74179;NSC-74179;butyl-cyclopentane;NSC74179;UNII-6E6J1J5JP6;DTXSID00174351;LMFA11000667;AKOS006274308;FT-0744140

Chemical Property of Butylcyclopentane

Chemical Property:

• Vapor Pressure: 3.78mmHg at 25°C
• Melting Point: -107.97°C
• Refractive Index: 1.435
• Boiling Point: 156.1 °C at 760 mmHg
• Flash Point: 34.7 °C
• PSA: 0.00000
• Density: 0.792 g/cm³
• LogP: 3.36680
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 60.4

Purity/Quality:

98%, ^*data from raw suppliers

Butylcyclopentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CCCC1
• Uses: Butylcyclopentane, is one of the components of frying oil.

Technology Process of Butylcyclopentane

There total 13 articles about Butylcyclopentane 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: 86.0%

Cyclopentyl bromide (137-43-9) → n-butylcyclopentane (2040-95-1)

Guidance literature:

With Li₂[di-n-butylcyanocuprate]; In tetrahydrofuran; at 0 ℃; for 6h;

DOI:10.1021/jo00195a009

Reference yield: 82.0%

cyclopentyl iodide (1556-18-9) → n-butylcyclopentane (2040-95-1)

Guidance literature:

With Li₂[di-n-butylcyanocuprate]; In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1021/jo00195a009

Reference yield: 38.0%

cyclopentyl iodide (1556-18-9) + butyl magnesium bromide (693-04-9) → n-butylcyclopentane (2040-95-1)

Guidance literature:

With Nickamine; In tetrahydrofuran; N,N-dimethyl acetamide; at -20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja200270k

upstream raw materials:

butyl magnesium bromide

cyclopentanone

n-butyllithium

Cyclopentyl bromide

Downstream raw materials:

1,2,4-trimethylcyclohexane

1,3,5-trimethylcyclohexane

Isopropylbenzene

methyl-cyclopentane

Refernces

• 1、 Ren, Peng,Vechorkin, Oleg,Von Allmen, Kim,Scopelliti, Rosario,Hu, Xile. "A structure-activity study of Ni-catalyzed alkyl-alkyl kumada coupling. Improved catalysts for coupling of secondary alkyl halides". supporting information; experimental part. p. 7084 - 7095. Retrieved 2011/06/26.
• 2、 Lipshutz, Bruce H.,Wilhelm, Robert S.,Floyd, David M.. "Chemistry of Higher Order, Mixed Organocuprates. 1. Substitution Reactions at Unactivated Secondary Centers". . p. 7672 - 7674. Retrieved 2007/10/02.