2-Phenyl-3-propylpyridine

Base Information

• Chemical Name: 2-Phenyl-3-propylpyridine
• CAS No.: 85237-76-9
• Molecular Formula: C₁₄H₁₅N
• Molecular Weight: 197.28
• European Community (EC) Number: 286-438-5
• DSSTox Substance ID: DTXSID70234451
• Nikkaji Number: J307.613J
• Wikidata: Q83116247
• Mol file: 85237-76-9.mol

Synonyms:2-Phenyl-3-propylpyridine;85237-76-9;EINECS 286-438-5;DTXSID70234451

Chemical Property of 2-Phenyl-3-propylpyridine

Chemical Property:

• Vapor Pressure: 0.000376mmHg at 25°C
• Boiling Point: 327.9°C at 760 mmHg
• PKA: 4.77±0.10(Predicted)
• Flash Point: 140.1°C
• PSA: 12.89000
• Density: 1g/cm³
• LogP: 3.70110
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(N=CC=C1)C2=CC=CC=C2

Technology Process of 2-Phenyl-3-propylpyridine

There total 2 articles about 2-Phenyl-3-propylpyridine 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: 56.0%

phenyl butyl ketone (1009-14-9) + C3H7NO → 2-phenyl-3-propylpyridine (85237-76-9)

Guidance literature:

With 1,10-Phenanthroline; potassium tert-butylate; nickel dibromide; In toluene; at 140 ℃; for 36h; Schlenk technique; Sealed tube; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.orglett.8b02256

Reference yield: 33.0%

phenyl butyl ketone (1009-14-9) + Trimethylenediamine (109-76-2,54018-94-9) → 2-phenyl-3-propylpyridine (85237-76-9)

Guidance literature:

With oxygen; copper(II) bis(trifluoromethanesulfonate); toluene-4-sulfonic acid; In hexan-1-ol; at 110 ℃; for 24h; Sealed tube; Schlenk technique;

DOI:10.1021/ol5023596

upstream raw materials:

phenyl butyl ketone

Trimethylenediamine

Refernces

• 1、 Xi, Long-Yi,Zhang, Ruo-Yi,Liang, Shuai,Chen, Shan-Yong,Yu, Xiao-Qi. "Copper-catalyzed aerobic synthesis of 2-arylpyridines from acetophenones and 1,3-diaminopropane". supporting information. p. 5269 - 5271. Retrieved 2015/01/09.