(2-Iodophenyl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone

Base Information

• Chemical Name: (2-Iodophenyl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone
• CAS No.: 109241-03-4
• Molecular Formula: C18H16INO
• Molecular Weight: 389.236
• DSSTox Substance ID: DTXSID20547947
• Wikidata: Q82426498
• Mol file: 109241-03-4.mol

Synonyms:109241-03-4;DTXSID20547947;(2-Iodophenyl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone;AKOS008526903

Chemical Property of (2-Iodophenyl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 389.02766
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3I

Technology Process of (2-Iodophenyl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone

There total 1 articles about (2-Iodophenyl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone 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: 77.0%

1,2,3,6-tetrahydro-4-phenylpyridine (10338-69-9) + 2-Iodobenzoyl chloride (609-67-6) → 1-(2'-iodobenzoyl)-4-phenyl-1,2,5,6-tetrahydropyridine (109241-03-4)

Guidance literature:

With triethylamine; In benzene; for 1h; Heating;

DOI:10.1016/S0040-4020(01)91034-8

Reference yield: 55.0%

1-(2'-iodobenzoyl)-4-phenyl-1,2,5,6-tetrahydropyridine (109241-03-4) → 1-aza-2-oxo-3,4-benzo-6-phenylbicyclo<3.3.1>nona-6-ene (109241-06-7)

Guidance literature:

With potassium carbonate; palladium diacetate; tetraethylammonium chloride; triphenylphosphine; In acetonitrile; at 30 - 80 ℃;

DOI:10.1039/c39860001697

Reference yield:

tri-n-butyl(vinyl)tin (7486-35-3) + 1-(2'-iodobenzoyl)-4-phenyl-1,2,5,6-tetrahydropyridine (109241-03-4) → (4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-vinyl-phenyl)-methanone (121359-60-2)

Guidance literature:

palladium diacetate; triphenylphosphine; Yield given;

DOI:10.1016/S0040-4039(00)80814-X

upstream raw materials:

1,2,3,6-tetrahydro-4-phenylpyridine

2-Iodobenzoyl chloride

Downstream raw materials:

(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-(2-vinyl-phenyl)-methanone

1-aza-2-oxo-3,4-benzo-6-phenylbicyclo<3.3.1>nona-6-ene