n-Heptylcyclopentane

Base Information

• Chemical Name: n-Heptylcyclopentane
• CAS No.: 5617-42-5
• Molecular Formula: C12H24
• Molecular Weight: 168.323
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID70204699
• Wikidata: Q83078127
• Mol file: 5617-42-5.mol

Synonyms:n-Heptylcyclopentane;heptylcyclopentane;Cyclopentane, heptyl-;5617-42-5;DTXSID70204699;BOFNAOHMSHEKQL-UHFFFAOYSA-N

Chemical Property of n-Heptylcyclopentane

Chemical Property:

• Vapor Pressure: 0.143mmHg at 25°C
• Melting Point: -53.15°C
• Refractive Index: 1.4400
• Boiling Point: 223.5°C at 760 mmHg
• Flash Point: 79.4°C
• PSA: 0.00000
• Density: 0.806g/cm³
• LogP: 4.53710
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 168.187800766
• Heavy Atom Count: 12
• Complexity: 90.2

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1CCCC1

Technology Process of n-Heptylcyclopentane

There total 2 articles about n-Heptylcyclopentane 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: 32.84%

cis-Octadecenoic acid (112-80-1,2027-47-6) → heptylcyclopentane (5617-42-5) + dodecylcyclohexane (1795-17-1) + 1-dodecylbenzene (123-01-3)

Guidance literature:

With Cu₃P catalyst supported on ultra-stable zeolite Y; In dodecane; at 340 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.mcat.2021.111425

Reference yield:

ethene (74-85-1) → 1-hexene (592-41-6,25067-06-5) + 1-dodecene (112-41-4,25067-08-7,62132-67-6) + oct-1-ene (111-66-0,25068-25-1) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + methylenecyclopentane (1528-30-9) + methyl-cyclopentane (96-37-7) + n-propylcyclopentane (2040-96-2) + n-pentylcyclopentane (3741-00-2) + heptylcyclopentane (5617-42-5) + allylcyclopentane (3524-75-2) + 7-cyclopentyl-1-heptene (51255-64-2) + C10H18

Guidance literature:

With chromium(III) acetylacetonate; 2-(diphenylphosphino)-3-methylphosphinine; In chlorobenzene; at 60 ℃; for 0.5h; Reagent/catalyst; Schlenk technique;

DOI:10.1021/acs.organomet.8b00063

upstream raw materials:

ethene

cis-Octadecenoic acid

Refernces

• 1、 Newland, Robert J.,Smith, Alana,Smith, David M.,Fey, Natalie,Hanton, Martin J.,Mansell, Stephen M.. "Accessing Alkyl- and Alkenylcyclopentanes from Cr-Catalyzed Ethylene Oligomerization Using 2-Phosphinophosphinine Ligands". . p. 1062 - 1073. Retrieved 2018/03/30.