3,5-Diethylpyridine

Base Information

• Chemical Name: 3,5-Diethylpyridine
• CAS No.: 699-25-2
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40480226
• Nikkaji Number: J28.093C
• Wikidata: Q82314864
• Mol file: 699-25-2.mol

Synonyms:3,5-diethylpyridine;699-25-2;3,5-DIETHYL PYRIDINE;SCHEMBL240843;DTXSID40480226;SAVPSRHNNQVBLW-UHFFFAOYSA-N;AKOS006273589;FT-0720418;A914803

Chemical Property of 3,5-Diethylpyridine

Chemical Property:

• Melting Point: 180-181 °C(Solv: acetone (67-64-1))
• Boiling Point: 208 °C
• PKA: 5.92±0.20(Predicted)
• PSA: 12.89000
• Density: 0.9227 g/cm3
• LogP: 2.20640
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 80.7

Purity/Quality:

99%min ^*data from raw suppliers

3,5-diethylPyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC(=CN=C1)CC

Technology Process of 3,5-Diethylpyridine

There total 2 articles about 3,5-Diethylpyridine 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + butan-1-ol (71-36-3) → 3,5-diethylpyridine (699-25-2) + 2-Propyl-3,5-diethyl pyridine (4808-75-7)

Guidance literature:

With ammonia; at 350 ℃; under 760.051 Torr; Temperature; Reagent/catalyst; Inert atmosphere; Flow reactor;

DOI:10.1134/S0023158419020022

Reference yield:

butyraldehyde (123-72-8) → 3,5-diethylpyridine (699-25-2) + 2-Propyl-3,5-diethyl pyridine (4808-75-7)

Guidance literature:

With ammonia; silica gel; at 300 - 330 ℃;

Reference yield: 59.0%

3,5-diethylpyridine (699-25-2) + 1-bromo-2-(methoxymethyl)benzene (52711-30-5) → 3,5-diethyl-2-[2-(methoxymethyl)phenyl]pyridine

Guidance literature:

With tert.-butyl lithium; In diethyl ether; pentane; at -78 - 25 ℃; for 5h;

DOI:10.1021/acs.orglett.5b01152

upstream raw materials:

butyraldehyde

formaldehyd

butan-1-ol

Downstream raw materials:

3,5-diethyl-1-(2,4-dinitro-phenyl)-pyridinium; bromide

3,5-diethyl-1-(2,4-dinitro-phenyl)-pyridinium; chloride

Refernces