4-Isohexylpyridine

Base Information

• Chemical Name: 4-Isohexylpyridine
• CAS No.: 22241-38-9
• Molecular Formula: C11H17 N
• Molecular Weight: 163.263
• Hs Code.: 2933399090
• European Community (EC) Number: 244-864-9
• UNII: AR2WEP62JT
• DSSTox Substance ID: DTXSID30176782
• Nikkaji Number: J285.464C
• Wikidata: Q27274076
• Mol file: 22241-38-9.mol

Synonyms:4-Isohexylpyridine;4-(4-methylpentyl)pyridine;22241-38-9;EINECS 244-864-9;UNII-AR2WEP62JT;AR2WEP62JT;Pyridine,4-(4-methylpentyl)-;starbld0001807;SCHEMBL3169642;Pyridine, 4-(4-methylpentyl)-;DTXSID30176782;AKOS006274531;CS-0256544;EN300-6496196;Q27274076

Chemical Property of 4-Isohexylpyridine

Chemical Property:

• Vapor Pressure: 0.0605mmHg at 25°C
• Boiling Point: 239.9°Cat760mmHg
• Flash Point: 92.4°C
• PSA: 12.89000
• Density: 0.897g/cm³
• LogP: 3.06030
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

4-(4-METHYLPENTYL)PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC1=CC=NC=C1

Technology Process of 4-Isohexylpyridine

There total 5 articles about 4-Isohexylpyridine 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: 95.0%

i-pentyl bromide (107-82-4) → 4-(4-methylpentyl)pyridine (22241-38-9)

Guidance literature:

picoline; With n-butyllithium; In tetrahydrofuran; at -78 - 45 ℃; for 2h;

i-pentyl bromide; In tetrahydrofuran; at -78 - 20 ℃;

With water; In tetrahydrofuran;

Reference yield: 76.0%

4-vinylpyridine (100-43-6,329041-72-7) + isobutyraldehyde hydrazone (29443-46-7) → 4-(4-methylpentyl)pyridine (22241-38-9)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; 1,2-bis(dimethylphosphanyl)ethane; lithium tert-butoxide; In tetrahydrofuran; at 80 ℃; for 12h; regioselective reaction; Inert atmosphere;

DOI:10.1039/d0sc06586b

Reference yield: 75.0%

picoline (108-89-4) + i-pentyl bromide (107-82-4) → 4-(4-methylpentyl)pyridine (22241-38-9)

Guidance literature:

picoline; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 45 ℃; for 2h; Inert atmosphere;

i-pentyl bromide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jacs.5b10299

upstream raw materials:

i-pentyl bromide

picoline

4-vinylpyridine

isobutyraldehyde hydrazone

Refernces

• 1、 Ranjan, Prabhat,Pillitteri, Serena,Coppola, Guglielmo,Oliva, Monica,Van der Eycken, Erik V.,Sharma, Upendra K.. "Unlocking the Accessibility of Alkyl Radicals from Boronic Acids through Solvent-Assisted Organophotoredox Activation". . p. 10862 - 10870. Retrieved 2021/09/08.
• 2、 -. "BIS-PYRIDINIUM COMPOUNDS". Page/Page column 24. . Retrieved 2008/06/13.