3-Ethyl-5-methylpyridine

Base Information

• Chemical Name: 3-Ethyl-5-methylpyridine
• CAS No.: 3999-78-8
• Molecular Formula: C8H11 N
• Molecular Weight: 121.182
• UNII: 3Z2M4USF3Y
• DSSTox Substance ID: DTXSID40193046
• Nikkaji Number: J45.581D
• Wikidata: Q27258229
• Mol file: 3999-78-8.mol

Synonyms:3-ETHYL-5-METHYLPYRIDINE;3999-78-8;Pyridine, 3-ethyl-5-methyl-;3-Picoline, 5-ethyl-;3-ethyl-5-methyl-pyridine;3-Methyl-5-ethylpyridine;UNII-3Z2M4USF3Y;3Z2M4USF3Y;5-Ethyl-3-picoline;3-Ethyl-5-methylpyridine #;SCHEMBL4783955;DTXSID40193046;SB55136;FT-0714817;Q27258229

Chemical Property of 3-Ethyl-5-methylpyridine

Chemical Property:

• Vapor Pressure: 0.776mmHg at 25°C
• Boiling Point: 189.7°C at 760 mmHg
• Flash Point: 66°C
• PSA: 12.89000
• Density: 0.919g/cm³
• LogP: 1.95240
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

3-Ethyl-5-methylpyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CN=CC(=C1)C

Technology Process of 3-Ethyl-5-methylpyridine

There total 7 articles about 3-Ethyl-5-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: 73.0%

N-(1-propenyl)piperidine (7182-09-4) + 1-tert-Butyl-3-ethyl-1-aza-1,3-butadiene (80716-46-7) → 3-ethyl-5-methyl-pyridine (3999-78-8)

Guidance literature:

In benzene; at 200 ℃; 20-24 h;

DOI:10.1021/jo00189a007

Reference yield:

3-Methylpyridine (108-99-6) + ethanol (64-17-5) → 2-ethyl-5-methylpyridine (18113-81-0) + 3-ethyl-5-methyl-pyridine (3999-78-8) + 3-methyl-4-ethyl-pyridine (20815-29-6)

Guidance literature:

cation-exchanged zeolite; at 420 ℃; Product distribution; H and various alkaline or alkaline earth cation-exchanged Y type zeolite catalysts;

DOI:10.1248/cpb.30.2575

Reference yield:

3-ethyl-2,3-dihydro-2-methoxy-5-methyl-4H-pyran → 3-ethyl-5-methyl-pyridine (3999-78-8)

Guidance literature:

With ammonium nitrate; acetic acid; In water;

upstream raw materials:

isovoacangine

3-Methylpyridine

ethanol

N-(1-propenyl)piperidine

Refernces

• 1、 -. "Preparation of pyridines". . . Retrieved 2008/06/13.