3-Methyl-1,8-naphthyridin-2(1H)-one

Base Information

• Chemical Name: 3-Methyl-1,8-naphthyridin-2(1H)-one
• CAS No.: 40000-89-3
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.175
• DSSTox Substance ID: DTXSID00563221
• Nikkaji Number: J329.298C
• Wikidata: Q82447599
• Mol file: 40000-89-3.mol

Synonyms:3-METHYL-1,8-NAPHTHYRIDIN-2(1H)-ONE;40000-89-3;3-METHYL-1H-1,8-NAPHTHYRIDIN-2-ONE;3-Methyl-1,2-dihydro-1,8-naphthyridine-2-one;methyl oxo-naphthyridine;SCHEMBL435130;SCHEMBL18081960;DTXSID00563221;MFCD13193569;A873509

Chemical Property of 3-Methyl-1,8-naphthyridin-2(1H)-one

Chemical Property:

• Vapor Pressure: 4.39E-06mmHg at 25°C
• Boiling Point: 383.4°C at 760 mmHg
• Flash Point: 185.7°C
• Density: 1.201g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-1,8-naphthyridin-2(1H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(NC1=O)N=CC=C2

Technology Process of 3-Methyl-1,8-naphthyridin-2(1H)-one

There total 6 articles about 3-Methyl-1,8-naphthyridin-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: 79.0%

3-[2-(2,2-Dimethyl-propionylamino)-pyridin-3-yl]-3-hydroxy-2-methyl-propionic acid tert-butyl ester (127446-48-4,127472-34-8) → 3-Methyl-1,8-naphthyridin-2-one (40000-89-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 24h; Heating;

DOI:10.1021/jo00302a049

Reference yield: 65.0%

2-Aminonicotinaldehyde (7521-41-7) + propionyl chloride (79-03-8) → 3-Methyl-1,8-naphthyridin-2-one (40000-89-3)

Guidance literature:

DOI:10.1016/0960-894X(96)00288-0

Reference yield:

C12H14N2O3 (1126425-11-3) → 3-Methyl-1,8-naphthyridin-2-one (40000-89-3)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 65 ℃;

upstream raw materials:

3-[2-(2,2-Dimethyl-propionylamino)-pyridin-3-yl]-3-hydroxy-2-methyl-propionic acid tert-butyl ester

2-Aminonicotinaldehyde

propionyl chloride

C₁₂H₁₄N₂O₃

Downstream raw materials:

C₉H₆BrClN₂