3-Methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Base Information

Chemical Name:3-Methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
CAS No.:858488-66-1
Molecular Formula:C₁₁H₉NO₃
Molecular Weight:203.197
Hs Code.:2933499090
DSSTox Substance ID:DTXSID60476989
Wikidata:Q82308998
Mol file:858488-66-1.mol

Synonyms:858488-66-1;4-Hydroxy-3-methylquinoline-2-carboxylic acid;4-Hydroxy-3-methyl-quinoline-2-carboxylic acid;3-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid;3-methyl-4-oxo-1H-quinoline-2-carboxylic acid;402491-58-1;2-Quinolinecarboxylicacid, 4-hydroxy-3-methyl-;SCHEMBL2908831;AMY5066;DTXSID60476989;SB70469;FT-0687565;A24764;F50997

Suppliers and Price of 3-Methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of 3-Methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Chemical Property:

Melting Point:300 °C
Boiling Point:424.3±45.0 °C(Predicted)
PKA:0.78±0.30(Predicted)
PSA：70.16000
Density:1.410±0.06 g/cm3(Predicted)
LogP:1.53470
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:203.058243149
Heavy Atom Count:15
Complexity:346

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(NC2=CC=CC=C2C1=O)C(=O)O

Technology Process of 3-Methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

There total 11 articles about 3-Methyl-4-oxo-1,4-dihydroquinoline-2-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: 98.0%

: 219949-95-8,402491-57-0
ethyl 3-methyl-4-oxo-1,4‐dihydroquinoline‐2‐carboxylate

: 858488-66-1,402491-58-1
3-Methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Guidance literature:: ethyl 3-methyl-4-oxo-1,4‐dihydroquinoline‐2‐carboxylate; With sodium hydroxide; water; for 0.5h; Heating / reflux;

With hydrogenchloride; In water;

Reference yield:

: 219949-95-8,402491-57-0
4-hydroxy-3-methylquinoline-2-carboxylic acid ethyl ester

: 858488-66-1,402491-58-1
4-hydroxy-3-methylquinoline-2-carboxylic acid

Guidance literature:: With sodium hydroxide;
DOI:10.1021/ja01205a042

Reference yield:

: 759-65-9
diethyl oxalpropionate

: 858488-66-1,402491-58-1
4-hydroxy-3-methylquinoline-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: p-TsOH*H₂O / toluene / Heating

2: 2.42 g / diphenyl ether / 1 h / 250 °C

3: aq. NaOH / 2.5 h / Heating

With sodium hydroxide; toluene-4-sulfonic acid; In diphenylether; toluene;
DOI:10.1021/jm060262x