3-Methyl-4-propyl-pyridine

Base Information

• Chemical Name: 3-Methyl-4-propyl-pyridine
• CAS No.: 3478-72-6
• Molecular Formula: C9H13N
• Molecular Weight: 135.20600
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30404678
• Wikidata: Q82208969
• Mol file: 3478-72-6.mol

Synonyms:3-methyl-4-propyl-pyridine;3478-72-6;3-methyl-4-propylpyridine;3-methyl-4-n-propylpyridine;SCHEMBL873728;DTXSID30404678;BEBMSCLUBWVGGA-UHFFFAOYSA-N;AKOS006295616;SB53867

Chemical Property of 3-Methyl-4-propyl-pyridine

Chemical Property:

• Boiling Point: 93-94 °C(Press: 13 Torr)
• PKA: 6.29±0.18(Predicted)
• PSA: 12.89000
• Density: 0.9329 g/cm3
• LogP: 2.34250
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

98%min ^*data from raw suppliers

3-Methyl-4-n-propylpyridine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C=NC=C1)C

Technology Process of 3-Methyl-4-propyl-pyridine

There total 5 articles about 3-Methyl-4-propyl-pyridine 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: 96.0%

1-(2,5-Dimethyl-pyrrol-1-yl)-3-methyl-4-propyl-1,4-dihydro-pyridine → 3-methyl-4-propyl-pyridine (3478-72-6)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In tetrahydrofuran; for 24h; Heating;

Reference yield:

3-Methylpyridine (108-99-6) + propionic acid anhydride (123-62-6) → 3-methyl-4-propyl-pyridine (3478-72-6)

Guidance literature:

With zinc; Erhitzen der Reaktionsloesung mit Propionsaeure;

Reference yield:

N-(2,5-dimethylpyrrol-1-yl)pyridinium iodide (78133-60-5) → 3-methyl-4-propyl-pyridine (3478-72-6) + 1-(2,5-Dimethyl-pyrrol-1-yl)-3-methyl-4-propyl-1,4-dihydro-pyridine

Guidance literature:

With magnesium; Yield given. Multistep reaction. Title compound not separated from byproducts; 1.) THF, 2.) THF, 5 min;

upstream raw materials:

3-Methylpyridine

propionic acid anhydride

N-(2,5-dimethylpyrrol-1-yl)pyridinium iodide

Downstream raw materials:

1-benzyl-3-methyl-4-propylpyridinium iodide

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