2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one

Base Information

• Chemical Name: 2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one
• CAS No.: 118679-90-6
• Molecular Formula: C14H15NO4
• Molecular Weight: 261.277
• DSSTox Substance ID: DTXSID30569317
• Wikidata: Q82456443
• Mol file: 118679-90-6.mol

Synonyms:118679-90-6;2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one;2-(HYDROXYMETHYL)-5-[(4-METHOXYPHENYL)METHOXY]-1H-PYRIDIN-4-ONE;2-(hydroxymethyl)-5-[(4-methoxybenzyl)oxy]pyridin-4(1H)-one;2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-1,4-dihydropyridin-4-one;SCHEMBL106114;DTXSID30569317;GMSCKKIRAYIIAL-UHFFFAOYSA-N;CS-0456902;F19616;2-(hydroxymethyl)-5-(4-methoxybenzyloxy)pyridin-4(1H)-one;2-(Hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]pyridin-4(1H)-one;2-(hydroxymethyl)-5-({[4-(methoxy)phenyl]methyl}oxy)-4(1H)-pyridinone

Chemical Property of 2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 261.10010796
• Heavy Atom Count: 19
• Complexity: 381

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COC2=CNC(=CC2=O)CO

Technology Process of 2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one

There total 3 articles about 2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(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: 84.0%

5-p-methoxybenzyloxy-2-hydroxymethyl-4-pyrone (118708-61-5) → 2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one (118679-90-6)

Guidance literature:

With ammonium hydroxide; In ethanol; at 100 ℃; for 6h;

Reference yield:

5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one (501-30-4,123712-78-7) → 2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one (118679-90-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / 1-methyl-pyrrolidin-2-one / 2 h / 75 °C

2: potassium carbonate; hydroxylamine hydrochloride / 1-methyl-pyrrolidin-2-one

With hydroxylamine hydrochloride; potassium carbonate; In 1-methyl-pyrrolidin-2-one;

DOI:10.1021/jm400560z

Reference yield:

p-methoxybenzyl chloride (824-94-2) → 2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one (118679-90-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / 1-methyl-pyrrolidin-2-one / 2 h / 75 °C

2: potassium carbonate; hydroxylamine hydrochloride / 1-methyl-pyrrolidin-2-one

With hydroxylamine hydrochloride; potassium carbonate; In 1-methyl-pyrrolidin-2-one;

DOI:10.1021/jm400560z

upstream raw materials:

5-p-methoxybenzyloxy-2-hydroxymethyl-4-pyrone

5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one

p-methoxybenzyl chloride

Downstream raw materials:

[5-({[4-(methyloxy)phenyl]methyl}oxy)-4-oxo-1,4-dihydro-2-pyridinyl]methyl acetate

2-(hydroxymethyl)-1,5-bis((4-methoxybenzyl)oxy)pyridin-4(1H)-one

C₄₅H₅₅N₇O₁₄S

C₄₅H₅₅N₇O₁₇S₂

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