Hydroxy methylphenylpyridinone

Base Information

• Chemical Name: Hydroxy methylphenylpyridinone
• CAS No.: 49744-73-2
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.225
• UNII: 788LMR127V
• DSSTox Substance ID: DTXSID10198008
• Nikkaji Number: J1.190.572B
• Wikidata: Q27266653
• ChEMBL ID: CHEMBL326815
• Mol file: 49744-73-2.mol

Synonyms:Hydroxy methylphenylpyridinone;1-Phenyl-2-methyl-3-hydroxy-4-pyridone;CP 84;UNII-788LMR127V;3-Hydroxy-2-methyl-1-phenyl-4(1H)-pyridinone;3-Hydroxy-2-methyl-1-phenyl-4-pyridinone;788LMR127V;49744-73-2;4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-phenyl-;CHEMBL326815;SCHEMBL4248794;DTXSID10198008;KUC106674N;BDBM50086229;KSC-10-220;HYDROXY METHYLPHENYLPYRIDINONE [INCI];Q27266653

Chemical Property of Hydroxy methylphenylpyridinone

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C=CN1C2=CC=CC=C2)O

Technology Process of Hydroxy methylphenylpyridinone

There total 7 articles about Hydroxy methylphenylpyridinone 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: 83.0%

Maltol (118-71-8) + aniline (62-53-3) → 3-hydroxy-2-methyl-1-phenyl-4-pyridinone (49744-73-2)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 160 ℃; for 12h; pH=5; Autoclave;

DOI:10.1021/acs.jafc.9b06296

Reference yield: 82.0%

3-Benzyloxy-2-methyl-1-phenyl-1H-pyridin-4-one (161175-83-3) → 3-hydroxy-2-methyl-1-phenyl-4-pyridinone (49744-73-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; Ambient temperature;

Reference yield:

3-O-benzylmaltol (61049-69-2) → 3-hydroxy-2-methyl-1-phenyl-4-pyridinone (49744-73-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / 8 h / 120 °C

2: 82 percent / H₂ / 10percent Pd/C / ethanol / Ambient temperature

With hydrogen; palladium on activated charcoal; In ethanol;

upstream raw materials:

3-Benzyloxy-2-methyl-1-phenyl-1H-pyridin-4-one

Maltol

aniline

3-O-benzylmaltol

Downstream raw materials:

3-hydroxy-2-methyl-1-phenyl-4(1H)-pyridinethione

[Rh(CO)2(C₆H₅NCHCHCOCOC(CH₃))]

cis-bis(3-hydroxy-2-methyl-1-phenyl-4-pyridinonato)dioxomolybdenum(VI)

tris(1-phenyl-2-methyl-3-hydroxy-4-pyridinonato)vanadium(IV)⁽¹⁺⁾