Pentylcyclohexane

Base Information

• Chemical Name: Pentylcyclohexane
• CAS No.: 4292-92-6
• Molecular Formula: C11H22
• Molecular Weight: 154.296
• Hs Code.: 2902199090
• European Community (EC) Number: 224-296-8
• DSSTox Substance ID: DTXSID2063399
• Nikkaji Number: J25.439H
• Wikidata: Q81976967
• Mol file: 4292-92-6.mol

Synonyms:PENTYLCYCLOHEXANE;n-Pentylcyclohexane;4292-92-6;n-Amylcyclohexane;1-Cyclohexylpentane;Cyclohexane, pentyl-;Amylcyclohexane;Cyclohexane, n-pentyl-;EINECS 224-296-8;29949-27-7;pentyl-cyclohexane;n-Amyl cyclohexane;Pentane, 1-cyclohexyl-;DTXSID2063399;MFCD00019402;AS-47894;A0745;CS-0207482;FT-0635213;F16714

Chemical Property of Pentylcyclohexane

Chemical Property:

• Vapor Pressure: 0.396mmHg at 25°C
• Melting Point: -57.5 °C
• Refractive Index: 1.438
• Boiling Point: 202 °C
• Flash Point: 66.1°C
• PSA: 0.00000
• Density: 0.797 g/cm³
• LogP: 4.14700
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 154.172150702
• Heavy Atom Count: 11
• Complexity: 80

Purity/Quality:

98%,99%, ^*data from raw suppliers

Amylcyclohexane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCCC1CCCCC1

Technology Process of Pentylcyclohexane

There total 24 articles about Pentylcyclohexane 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: 94.0%

pentylbenzene (538-68-1) → n-pentylcyclohexane (4292-92-6)

Guidance literature:

With nickel(II) oxide; hydrogen; palladium; In hexane; at 140 ℃; for 24h; under 37503.8 Torr;

DOI:10.1039/c3ra45600e

Reference yield: 94.0%

phenyl butyl ketone (1009-14-9) → n-pentylcyclohexane (4292-92-6)

Guidance literature:

With rhodium(III) chloride; hydrogen; In 2,2,2-trifluoroethanol; at 100 ℃; for 10h; under 37503.8 Torr; chemoselective reaction;

DOI:10.1039/d1cy01504d

Reference yield: 53.0%

butyl magnesium bromide (693-04-9) + Cyclohexylmethyl bromide (2550-36-9) → n-pentylcyclohexane (4292-92-6)

Guidance literature:

With buta-1,3-diene; copper dichloride; In tetrahydrofuran; at -78 - 25 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo501006u

upstream raw materials:

pentylbenzene

4-Cyclohexyl-penten-2

acetic acid

pent-4-en-1-ylcyclohexane

Downstream raw materials:

1,1,2,2-Tetramethylcyclohexan

methyl cyclohexane

n-butane

Refernces

• 1、 Bartling, Stephan,Chakrabortty, Soumyadeep,De Vries, Johannes G.,Kamer, Paul C. J.,Lund, Henrik,Müller, Bernd H.,Rockstroh, Nils. "The solvent determines the product in the hydrogenation of aromatic ketones using unligated RhCl3as catalyst precursor". . p. 7608 - 7616. Retrieved 2021/12/13.
• 2、 Popov, Stasik,Shao, Brian,Bagdasarian, Alex L.,Benton, Tyler R.,Zou, Luyi,Yang, Zhongyue,Houk,Nelson, Hosea M.. "Teaching an old carbocation new tricks: Intermolecular C-H insertion reactions of vinyl cations". . p. 381 - 387. Retrieved 2018/08/07.