3,5-Dibutylpyridine

Base Information

• Chemical Name: 3,5-Dibutylpyridine
• CAS No.: 139-83-3
• Molecular Formula: C13H21N
• Molecular Weight: 191.316
• European Community (EC) Number: 205-375-6
• NSC Number: 60005
• DSSTox Substance ID: DTXSID40160859
• Nikkaji Number: J184.419I
• Wikidata: Q83029191
• Mol file: 139-83-3.mol

Synonyms:3,5-Dibutylpyridine;139-83-3;EINECS 205-375-6;NSC60005;Pyridine,5-dibutyl-;SCHEMBL10807925;DTXSID40160859;NSC 60005;NSC-60005;AKOS006286641;EN300-303465

Chemical Property of 3,5-Dibutylpyridine

Chemical Property:

• Vapor Pressure: 0.00518mmHg at 25°C
• Boiling Point: 284.2°Cat760mmHg
• Flash Point: 117.4°C
• Density: 0.892g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=CN=C1)CCCC

Technology Process of 3,5-Dibutylpyridine

There total 5 articles about 3,5-Dibutylpyridine 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: 47.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + hexanal (66-25-1) → 3,5-dibutylpyridine (139-83-3)

Guidance literature:

With diammonium phosphate; In ethanol; water; at 230 ℃;

DOI:10.1002/hlca.19840670811

Reference yield:

n-butyl magnesium bromide (693-03-8) + 3,5-dichloropyridine (2457-47-8) → 3-butylpyridine (539-32-2) + 3,5-dibutylpyridine (139-83-3)

Guidance literature:

dichloro[propane-1,3-diylbis(diphenylphosphane)]nickel(II); In diethyl ether; for 20h; Heating;

DOI:10.1016/0040-4020(82)80117-8

Reference yield:

3,5-dibutyl-2,6-dichloro-pyridine (100620-69-7) → 3,5-dibutylpyridine (139-83-3)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; ethanol; Hydrogenation;

upstream raw materials:

3,5-dibutyl-2,6-dichloro-pyridine

n-butyl magnesium bromide

3,5-dichloropyridine

formaldehyd

Refernces

• 1、 Tamao, K.,Kodama, S.,Nakajima, I.,Kumada, M.,Minato, A.,Suzuki, K.. "NICKEL-PHOSPHINE COMPLEX-CATALYZED GRIGNARD COUPLING-II; GRIGNARD COUPLING OF HETEROCYCLIC COMPOUNDS". . p. 3347 - 3354. Retrieved 2007/10/02.