4-Pentylpyridine

Base Information

• Chemical Name: 4-Pentylpyridine
• CAS No.: 2961-50-4
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 2933399090
• European Community (EC) Number: 220-994-1
• NSC Number: 4694
• UNII: TUX2DXO6PF
• DSSTox Substance ID: DTXSID70183793
• Nikkaji Number: J45.015D
• Wikidata: Q63391567
• Mol file: 2961-50-4.mol

Synonyms:4-Pentylpyridine;2961-50-4;4-Amylpyridine;Pyridine, 4-pentyl-;1-(4-Pyridyl)pentane;4-n-Pentylpyridine;P-AMYLPYRIDINE;4-pentyl-pyridine;TUX2DXO6PF;NSC-4694;EINECS 220-994-1;AI3-24360;NSC4694;UNII-TUX2DXO6PF;SCHEMBL369568;DTXSID70183793;NSC 4694;MFCD02093422;SB52460;AS-57180;T70725;A876420;Q63391567

Chemical Property of 4-Pentylpyridine

Chemical Property:

• Refractive Index: 1.4890-1.4920
• Boiling Point: 226.844 °C at 760 mmHg
• Flash Point: 97.868 °C
• PSA: 12.89000
• Density: 0.904 g/cm³
• LogP: 2.81430
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

97% ^*data from raw suppliers

4-Pentylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=NC=C1
• Uses: 4-Pentylpyridine is used as a reactant in the synthesis of a series of bis(pentylpyridinium) compounds as antifungal agents.

Technology Process of 4-Pentylpyridine

There total 14 articles about 4-Pentylpyridine 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: 90.0%

picoline (108-89-4) + 1-bromo-butane (109-65-9) → 4-pentylpyridine (2961-50-4)

Guidance literature:

picoline; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

1-bromo-butane; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/ejoc.201900399

Reference yield: 78.0%

4-vinylpyridine (100-43-6,329041-72-7) + propionaldehyde hydrazone (29443-43-4) → 4-pentylpyridine (2961-50-4)

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:

picoline (108-89-4) → 4-pentylpyridine (2961-50-4) + 4-(1-butylpentyl)pyridine (2961-47-9)

Guidance literature:

With n-Butyl chloride; sodium amide;

DOI:10.1111/0022-1082.00286

upstream raw materials:

picoline

1-bromo-butane

n-Butyl chloride

5-butyl-5-pyridin-4-yl-pyrimidine-2,4,6-trione

Downstream raw materials:

4-pentyl-N-(4-cyanophenyl)piperidine

4-Pentylpiperidine

1-benzhydryl-4-pentyl-pyridinium; bromide

1-(4-fluoro-phenacyl)-4-pentyl-pyridinium; bromide