2-Hexylpyridine

Base Information

• Chemical Name: 2-Hexylpyridine
• CAS No.: 1129-69-7
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2933399090
• European Community (EC) Number: 214-454-4
• UNII: 64D57S7HGV
• DSSTox Substance ID: DTXSID10150207
• Nikkaji Number: J45.677B
• Wikidata: Q63398212
• Mol file: 1129-69-7.mol

Synonyms:2-Hexylpyridine;1129-69-7;Pyridine, 2-hexyl-;2-n-Hexylpyridine;2-(n-Hexyl)pyridine;2-HEXYL-PYRIDINE;EINECS 214-454-4;BRN 0114710;AI3-24115;5-20-06-00161 (Beilstein Handbook Reference);Pyridine, 2-(n-hexyl)-;SCHEMBL733452;64D57S7HGV;FEMA NO. 4948;FEMA 4948;DTXSID10150207;CHEBI:195229;2-C6H13(c-C5H4N);MFCD00023552;AKOS006228412;AS-56684;LS-131632;CS-0152299;FT-0633383;D83986;A802711;W-108630;Q63398212

Chemical Property of 2-Hexylpyridine

Chemical Property:

• Vapor Pressure: 0.112mmHg at 25°C
• Refractive Index: 1.489
• Boiling Point: 228.124 °C at 760 mmHg
• PKA: 5.95±0.10(Predicted)
• Flash Point: 98.901 °C
• PSA: 12.89000
• Density: 0.899 g/cm³
• LogP: 3.20440
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

2-Hexylpyridine 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC=CC=N1
• Uses: 2-n-Hexylpyridine is used as an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. Used in vegetable, meat and nut flavours, up to 1ppm.

Technology Process of 2-Hexylpyridine

There total 25 articles about 2-Hexylpyridine 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%

2-(phenylsulfonyl)pyridine (24244-60-8) + n-hexylmagnesium bromide (3761-92-0) → 2-hexylpyridine (1129-69-7)

Guidance literature:

for 0.5h;

DOI:10.3987/R-1986-12-3337

Reference yield: 90.0%

5-bromo-2-(hex-1-yn-1-yl)pyridine (111770-81-1) → 2-hexylpyridine (1129-69-7)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol;

DOI:10.1021/jo00237a029

Reference yield: 85.0%

2-bromo-pyridine (109-04-6) + nhexylzinc chloride (81745-81-5) → 2-hexylpyridine (1129-69-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 0.5h; Ambient temperature;

upstream raw materials:

α-picoline

2-hex-5-ynyl-pyridine

pyridine

n-hexyl mercury chloride

Downstream raw materials:

1-(4-fluoro-phenacyl)-2-hexyl-pyridinium; bromide

2-hexylpiperidine

2-hexyl-1-methyl-pyridinium; picrate