N-Propyl-4-phenyl-1,2,3,6-tetrahydropyridine

Base Information

• Chemical Name: N-Propyl-4-phenyl-1,2,3,6-tetrahydropyridine
• CAS No.: 90986-85-9
• Molecular Formula: C14H19 N
• Molecular Weight: 201.312
• DSSTox Substance ID: DTXSID80238344
• Nikkaji Number: J438.801A
• ChEMBL ID: CHEMBL317826
• Mol file: 90986-85-9.mol

Synonyms:N-propyl-4-phenyl-1,2,3,6-tetrahydropyridine;PPTP

Chemical Property of N-Propyl-4-phenyl-1,2,3,6-tetrahydropyridine

Chemical Property:

• Vapor Pressure: 0.00102mmHg at 25°C
• Boiling Point: 302°Cat760mmHg
• Flash Point: 124.5°C
• PSA: 3.24000
• Density: 0.972g/cm³
• LogP: 3.12360
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 201.151749610
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1CCC(=CC1)C2=CC=CC=C2

Technology Process of N-Propyl-4-phenyl-1,2,3,6-tetrahydropyridine

There total 5 articles about N-Propyl-4-phenyl-1,2,3,6-tetrahydropyridine 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:

1-cyclopropyl-4-phenyl-1,2,3,6-tetrahydropyridine → p-phenylpyridine (939-23-1) + 1-ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine (13314-63-1) + PPTP (90986-85-9)

Guidance literature:

With pyridine; sodium tetrahydroborate; tris(1,10-phenanthroline)iron(III) tris(hexafluorophosphate); Yield given. Multistep reaction. Yields of byproduct given; 1.) acetonitrile, room temperature, 10 min, 2.) acetonitrile, methanol;

DOI:10.1016/S0968-0896(97)10033-5

Reference yield:

[D3]acetonitrile (2206-26-0) + 1-cyclopropyl-4-phenyl-1,2,3,6-tetrahydropyridine → p-phenylpyridine (939-23-1) + PPTP (90986-85-9) + C13H14(2)H3N

Guidance literature:

With pyridine; sodium tetrahydroborate; tris(1,10-phenanthroline)iron(III) tris(hexafluorophosphate); Multistep reaction; 1.) room temperature, 10 min, 2.) methanol;

DOI:10.1016/S0968-0896(97)10033-5

Reference yield:

acetonitrile (75-05-8,26809-02-9) + 1-cyclopropyl-4-phenyl-1,2,3,6-tetrahydropyridine → p-phenylpyridine (939-23-1) + 1-ethyl-4-phenyl-1,2,3,6-tetrahydro-pyridine (13314-63-1) + PPTP (90986-85-9)

Guidance literature:

With pyridine; sodium tetrahydroborate; tris(1,10-phenanthroline)iron(III) tris(hexafluorophosphate); Mechanism; Product distribution; other N-cyclopropyl-4-substituted-1,2,3,6-tetrahydropyridines and deuterated analogues, other reactants: CD₃CN, propionitrile; multistep reaction, 1.) room temperature, 10 min; various reaction time, 2.) methanol; other reagents: NaBD₄, water;

DOI:10.1016/S0968-0896(97)10033-5

upstream raw materials:

1-propyl-4-phenylpyridinium iodide

[D₃]acetonitrile

acetonitrile

Downstream raw materials:

4-phenyl-1-propyl-1,2,3,6-tetrahydropyridine N-oxide m-chlorobenzoate

Refernces

• 1、 Kalgutkar, Amit S.,Castagnoli, Neal. "Synthesis of Novel MPTP Analogs as Potential Monoamine Oxidase B (MAO-B) Inhibitors". . p. 4165 - 4174. Retrieved 2007/10/02.