1,6-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Base Information

• Chemical Name: 1,6-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• CAS No.: 51726-43-3
• Molecular Formula: C12H11NO3
• Molecular Weight: 217.22
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50352081
• Wikidata: Q82129043
• ChEMBL ID: CHEMBL386624
• Mol file: 51726-43-3.mol

Synonyms:51726-43-3;1,6-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid;1,6-dimethyl-4-oxoquinoline-3-carboxylic acid;MFCD01918236;ChemDiv3_001175;Cambridge id 5884927;Oprea1_336066;Oprea1_555531;SCHEMBL399326;CHEMBL386624;DTXSID50352081;HMS1476F09;BCA72643;BBL003087;STK966139;AKOS000273165;BS-4241;CCG-105915;SB70568;IDI1_020141;NCGC00172917-01;BB 0221374;CS-0312629;EU-0037444;FT-0677039;AB00100322-01;SR-01000425961;SR-01000425961-1;BRD-K94131287-001-01-7;1,6-Dimethyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid;1,6-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylicacid;1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid;1,6-dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, AldrichCPR

Chemical Property of 1,6-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 8.91E-07mmHg at 25°C
• Refractive Index: 1.618
• Boiling Point: 389.9°C at 760 mmHg
• Flash Point: 189.6°C
• PSA: 59.30000
• Density: 1.327g/cm³
• LogP: 1.54510
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 217.07389321
• Heavy Atom Count: 16
• Complexity: 361

Purity/Quality:

97% ^*data from raw suppliers

1,6-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)O)C

Technology Process of 1,6-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

There total 3 articles about 1,6-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 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:

2-[(methyl-p-tolyl-amino)-methylene]-malonic acid diethyl ester (500897-42-7) → 1,6-dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid (51726-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: various solvent(s) / 1 h / Heating

2: aq. NaOH / 1 h / Heating

With sodium hydroxide; In various solvent(s);

DOI:10.1021/jm050048t

Reference yield:

N-methyl-p-toluidine (623-08-5) → 1,6-dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid (51726-43-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 h / Heating

2: various solvent(s) / 1 h / Heating

3: aq. NaOH / 1 h / Heating

With sodium hydroxide; In various solvent(s);

DOI:10.1021/jm050048t

Reference yield:

1,6-dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester → 1,6-dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid (51726-43-3)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

DOI:10.1021/jm050048t

upstream raw materials:

2-[(methyl-p-tolyl-amino)-methylene]-malonic acid diethyl ester

N-methyl-p-toluidine

Refernces