1-(4-Methoxybenzyl)-5,6-dihydropyridin-2(1H)-one

Base Information

• Chemical Name: 1-(4-Methoxybenzyl)-5,6-dihydropyridin-2(1H)-one
• CAS No.: 128773-74-0
• Molecular Formula: C13H15NO2
• Molecular Weight: 217.26400
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30561694
• Wikidata: Q82445548
• Mol file: 128773-74-0.mol

Synonyms:1-(4-Methoxybenzyl)-5,6-dihydropyridin-2(1H)-one;128773-74-0;1-[(4-methoxyphenyl)methyl]-2,3-dihydropyridin-6-one;SCHEMBL1770584;DTXSID30561694;IMDWPWYJVWBITN-UHFFFAOYSA-N;AKOS016007342;AM807494;A850612;J-503341;1-[(4-Methoxyphenyl)methyl]-5,6-dihydropyridin-2(1H)-one

Chemical Property of 1-(4-Methoxybenzyl)-5,6-dihydropyridin-2(1H)-one

Chemical Property:

• PSA: 29.54000
• LogP: 1.92160
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

1-(4-methoxybenzyl)-5,6-dihydropyridin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CN2CCC=CC2=O

Technology Process of 1-(4-Methoxybenzyl)-5,6-dihydropyridin-2(1H)-one

There total 6 articles about 1-(4-Methoxybenzyl)-5,6-dihydropyridin-2(1H)-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: 90.0%

N-(4-Methoxybenzyl)-δ-valerolactam (128773-73-9) → 1-(4-methoxybenzyl)-5,6-dihydropyridin-2(1H)-one (128773-74-0)

Guidance literature:

N-(4-Methoxybenzyl)-δ-valerolactam; With bis(2,2,6,6-tetramethyl-1-piperidyl)zinc; In 1,4-dioxane; toluene; at 0 ℃; for 0.166667h; Inert atmosphere;

With nickel(II) bromide dimethoxyethane; allyl diethyl phosphate; In 1,4-dioxane; toluene; at 80 ℃; for 2h; Reagent/catalyst; Catalytic behavior; Inert atmosphere;

DOI:10.1021/jacs.9b02552

Reference yield: 78.0%

1-(4-Methoxy-benzyl)-3-phenylselanyl-piperidin-2-one (128773-77-3) → 1-(4-methoxybenzyl)-5,6-dihydropyridin-2(1H)-one (128773-74-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

DOI:10.1016/S0040-4039(00)88731-6

Reference yield: 54.0%

1-(4-methoxy-benzyl)-piperidine (46441-11-6) → 1-(4-methoxybenzyl)-5,6-dihydropyridin-2(1H)-one (128773-74-0)

Guidance literature:

1-(4-methoxy-benzyl)-piperidine; With sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In aq. phosphate buffer; tert-butyl alcohol; at 20 ℃; for 0.0833333h; Sealed tube;

With sodium hypochlorite; In aq. phosphate buffer; tert-butyl alcohol; at 5 - 140 ℃; for 16h; Sealed tube;

DOI:10.1002/chem.201905262

upstream raw materials:

1-(4-Methoxy-benzyl)-3-phenylselanyl-piperidin-2-one

piperidin-2-one

N-(4-Methoxybenzyl)-δ-valerolactam

4-Methoxybenzyl alcohol

Downstream raw materials:

2-(p-methoxybenzyl)-3,4-dihydro-5,11-dimethyl-1-oxopyrido<4,3-b>carbazole

2-(p-methoxbenzyl)-1,2,3,4-tetrahydro-5,11-dimethylpyrido<4,3-b>carbazole