1-Benzyl-3,4-dihydro-1H-pyridin-2-one

Base Information

• Chemical Name: 1-Benzyl-3,4-dihydro-1H-pyridin-2-one
• CAS No.: 108046-33-9
• Molecular Formula: C12H13 N O
• Molecular Weight: 187.241
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60544950
• Nikkaji Number: J376.901A
• Wikidata: Q82422261
• Mol file: 108046-33-9.mol

Synonyms:108046-33-9;1-Benzyl-3,4-dihydro-1H-pyridin-2-one;1-BENZYL-3,4-DIHYDROPYRIDIN-2-ONE;1-Benzyl-3,4-dihydropyridin-2(1H)-one;DTXSID60544950;AKOS006330931;1-benzyl-2-oxo-1,2,3,4-tetrahydropyridine

Chemical Property of 1-Benzyl-3,4-dihydro-1H-pyridin-2-one

Chemical Property:

• Vapor Pressure: 1.81E-05mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 363.4°C at 760 mmHg
• PKA: -0.66±0.20(Predicted)
• Flash Point: 173.6°C
• PSA: 20.31000
• Density: 1.13g/cm³
• LogP: 2.26060
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

1-BENZYL-3,4-DIHYDRO-1H-PYRIDIN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C=C1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-3,4-dihydro-1H-pyridin-2-one

There total 12 articles about 1-Benzyl-3,4-dihydro-1H-pyridin-2-one 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%

1-benzyl-6-hydroxypiperidin-2-one (88460-82-6) → 1-benzyl-1,2,3,4-tetrahydro-2-pyridinone (108046-33-9)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1002/ejoc.201000863

Reference yield: 89.0%

1-benzylpiperidine-2,6-dione (42856-43-9) → 1-benzyl-1,2,3,4-tetrahydro-2-pyridinone (108046-33-9)

Guidance literature:

1-benzylpiperidine-2,6-dione; With lithium triethylborohydride; In tetrahydrofuran; toluene; at -70 ℃; for 0.5h;

With dmap; N-ethyl-N,N-diisopropylamine; trifluoroacetic anhydride; In tetrahydrofuran; toluene; at -70 - 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2005.04.030

Reference yield: 85.0%

1-benzyl-6-hydroxypiperidin-2-one → 1-benzyl-1,2,3,4-tetrahydro-2-pyridinone (108046-33-9)

Guidance literature:

With trifluoroacetic acid; at 20 ℃;

DOI:10.1002/ejoc.201800908

upstream raw materials:

carbon monoxide

but-3-enoic acid benzylamide

1-benzyl-6-hydroxypiperidin-2-one

1-benzylpiperidine-2,6-dione

Downstream raw materials:

(+/-)-1-benzyl-2-oxopiperidine-5-carbaldehyde

N-Benzyl-6-formyl-2-piperidone

3-(1-benzyl-6-oxo-1,4,5,6-tetrahydro-pyridin-3-yl)acrylic acid benzyl ester

2-(1-benzyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl)-2-phenylindolin-3-one