5-Hexyl-2-methylpyridine

Base Information

• Chemical Name: 5-Hexyl-2-methylpyridine
• CAS No.: 710-40-7
• Molecular Formula: C₁₂H₁₉N
• Molecular Weight: 177.29
• European Community (EC) Number: 414-530-9,638-979-7,640-095-1
• DSSTox Substance ID: DTXSID2051392
• Nikkaji Number: J183.704D
• Wikidata: Q63392443
• Mol file: 710-40-7.mol

Synonyms:5-Hexyl-2-methylpyridine;710-40-7;Pyridine, 5-hexyl-2-methyl-;Pyridine,5-hexyl-2-methyl-;5-Hexyl-2-methylpyridin;5-Hexyl-2-methyl pyridine;5-Hexyl-2-methylpyridine #;SCHEMBL487755;DTXSID2051392;Q63392443

Chemical Property of 5-Hexyl-2-methylpyridine

Chemical Property:

• Vapor Pressure: 0.0247mmHg at 25°C
• Boiling Point: 256.4°C at 760 mmHg
• Flash Point: 101.8°C
• Density: 0.896g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 122

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CN=C(C=C1)C

Technology Process of 5-Hexyl-2-methylpyridine

There total 3 articles about 5-Hexyl-2-methylpyridine 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: 37.0%

1-oct-1-enyl-pyrrolidine (13937-91-2) + 4-methyl-1,2,3-triazine (77202-08-5) → 5-hexyl-2-methylpyridine (710-40-7)

Guidance literature:

With zinc dibromide; In chloroform; at 90 ℃; for 2h;

DOI:10.3987/COM-94-6727

Reference yield:

1-(6-methyl-[3]pyridyl)-hexan-1-one (855917-94-1) → 5-hexyl-2-methylpyridine (710-40-7)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 200 ℃;

DOI:10.1002/hlca.19540370504

Reference yield:

→ 5-hexyl-2-methylpyridine (710-40-7)

Guidance literature:

5-Hex-1-inyl-2-methyl-pyridin, Reduktion mit Ni/Al;

upstream raw materials:

1-(6-methyl-[3]pyridyl)-hexan-1-one

1-oct-1-enyl-pyrrolidine

4-methyl-1,2,3-triazine

Refernces