Pyridine, 2,3,4,5-tetrahydro-6-phenyl-

Base Information

• Chemical Name: Pyridine, 2,3,4,5-tetrahydro-6-phenyl-
• CAS No.: 57050-07-4
• Molecular Formula: C11H13N
• Molecular Weight: 159.231
• European Community (EC) Number: 846-863-4
• ChEMBL ID: CHEMBL3759403
• DSSTox Substance ID: DTXSID00473997
• Nikkaji Number: J574.137H
• Wikidata: Q82303735
• Mol file: 57050-07-4.mol

Synonyms:6-phenyl-2,3,4,5-tetrahydro-pyridine;Pyridine,2,3,4,5-tetrahydro-6-phenyl;6-Phenyl-2,3,4,5-tetrahydro-pyridin;2,3,4,5-tetrahydro-6-phenylpyridine;2-phenyl-3,4,5,6-tetrahydro-pyridine;

Chemical Property of Pyridine, 2,3,4,5-tetrahydro-6-phenyl-

Chemical Property:

• Boiling Point: 140-150 °C(Press: 15 Torr)
• PSA: 12.36000
• Density: 1.01±0.1 g/cm3(Predicted)
• LogP: 2.09520
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN=C(C1)C2=CC=CC=C2

Technology Process of Pyridine, 2,3,4,5-tetrahydro-6-phenyl-

There total 37 articles about Pyridine, 2,3,4,5-tetrahydro-6-phenyl- 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: 92.0%

(5-oxo-5-phenyl-pentyl)-carbamic acid tert-butyl ester (116437-42-4) → 2-phenyl-3,4,5,6-tetrahydropyridine (57050-07-4)

Guidance literature:

With trifluoroacetic acid; at 18 - 22 ℃; for 2h;

DOI:10.1021/ol035746r

Reference yield: 89.0%

1-hydroxy-2-phenylpiperidine (3146-87-0) → 2-phenyl-3,4,5,6-tetrahydropyridine (57050-07-4)

Guidance literature:

With titanium(III) chloride; In tetrahydrofuran; 1.) addition of substrate at -78 deg C, 2.) room temperature;

DOI:10.1016/S0040-4039(00)98771-9

Reference yield: 85.0%

5-bromopentan-1-nitrile (5414-21-1) + phenyllithium (591-51-5) → 2-phenyl-3,4,5,6-tetrahydropyridine (57050-07-4)

Guidance literature:

In tetrahydrofuran; dibutyl ether; for 3h; Inert atmosphere; Reflux;

DOI:10.1016/j.ejmech.2015.11.045

upstream raw materials:

δ-chlorovaleronitrile

5-bromopentan-1-nitrile

5-benzoylaminopentanoic acid

2,3,4,5-tetrahydro-6-methoxypyridine

Downstream raw materials:

2,3,5-Triphenyl-1-azabicyclo<4.3.0>non-2-en-4-on

1,6b,6c-Triphenyl-2-oxo-1,2,4,5,6,6a,6b,6c-octahydrocyclopropindolizin

1,6b,6c-Triphenyl-2-thioxo-1,2,4,5,6,6a,6b,6c-octahydrocyclopropindolizin

(S)-2-Phenyl-piperidine