7-Methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Base Information

• Chemical Name: 7-Methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
• CAS No.: 77474-33-0
• Molecular Formula: C₁₁H₉NO₄
• Molecular Weight: 219.197
• Hs Code.: 2933499090
• ChEMBL ID: CHEMBL22527
• DSSTox Substance ID: DTXSID40529644
• Nikkaji Number: J377.370A,J400.585F
• Wikidata: Q82400212
• Mol file: 77474-33-0.mol

Synonyms:7-Methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid;77474-33-0;7-METHOXY-4-OXO-1H-QUINOLINE-2-CARBOXYLIC ACID;MFCD09757470;7-Methoxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid;CHEMBL22527;SCHEMBL2908122;7-Methoxy-4-oxo-1,4-dihydro-quinoline-2-carboxylicacid;DTXSID40529644;AKOS015947804;DS-1855;SB71631;CS-0150279;A865228;7-Methoxy-4-oxo-1 pound not4-dihydroquinoline-2-carboxylic acid

Chemical Property of 7-Methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.685
• Boiling Point: 461.098°C at 760 mmHg
• PKA: 3.34±0.20(Predicted)
• Flash Point: 232.664°C
• PSA: 79.39000
• Density: 1.445g/cm³
• LogP: 1.23490
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.05315777
• Heavy Atom Count: 16
• Complexity: 350

Purity/Quality:

97% ^*data from raw suppliers

7-Methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C=C(N2)C(=O)O

Technology Process of 7-Methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

There total 3 articles about 7-Methoxy-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:

methyl 7-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylate (77474-23-8,259214-73-8) → 7-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (77474-33-0)

Guidance literature:

methyl 7-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylate; With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 2h;

With hydrogenchloride; In tetrahydrofuran; water;

Reference yield:

1-(2-amino-4-methoxyphenyl)ethanone (42465-53-2) → 7-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (77474-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1: C₂H₅ONa / ethanol / 1 h / Heating

2: aq. HCl

With hydrogenchloride; sodium ethanolate; In ethanol;

DOI:10.1055/s-1984-30762

Reference yield:

4-(2-Amino-4-methoxy-phenyl)-2,4-dioxo-butyric acid ethyl ester → 7-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (77474-33-0) + ethyl 7-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylate (90033-71-9)

Guidance literature:

With hydrogenchloride; Yield given. Yields of byproduct given;

DOI:10.1055/s-1984-30762

upstream raw materials:

1-(2-amino-4-methoxyphenyl)ethanone

methyl 7-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylate

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