2-Methylquinoline-3,4-dicarboxylic acid

Base Information

• Chemical Name: 2-Methylquinoline-3,4-dicarboxylic acid
• CAS No.: 88344-65-4
• Molecular Formula: C₁₂H₉NO₄
• Molecular Weight: 231.208
• Hs Code.: 2933499090
• European Community (EC) Number: 632-970-1
• DSSTox Substance ID: DTXSID70350701
• Nikkaji Number: J1.430.198D
• Wikidata: Q82126776
• Mol file: 88344-65-4.mol

Synonyms:2-methylquinoline-3,4-dicarboxylic acid;88344-65-4;2-methyl-3,4-quinolinedicarboxylic acid;2-METHYLQUINOLINE-3,4-DICARBOXYLICACID;Maybridge3_003234;Cambridge id 5936805;Oprea1_718704;SCHEMBL353201;DTXSID70350701;HMS1440C22;2-methylquinoline-3,4-dicarboxylic;MFCD00110678;STK720121;AKOS004119505;CCG-253239;SB71735;IDI1_014621;LS-09050;EU-0038912;FT-0613077;AB00101502-01;AK-918/13280001

Chemical Property of 2-Methylquinoline-3,4-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.68E-07mmHg at 25°C
• Melting Point: 225 °C
• Boiling Point: 411.2°C at 760 mmHg
• Flash Point: 202.5°C
• PSA: 87.49000
• Density: 1.462g/cm³
• LogP: 1.93960
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 231.05315777
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

98%Min ^*data from raw suppliers

2-Methylquinoline-3,4-dicarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=C1C(=O)O)C(=O)O

Technology Process of 2-Methylquinoline-3,4-dicarboxylic acid

There total 4 articles about 2-Methylquinoline-3,4-dicarboxylic 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: 91.6%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + acetoacetic acid methyl ester (105-45-3) → 2-methylquinoline-3,4-dicarboxylic acid (88344-65-4)

Guidance literature:

indole-2,3-dione; With water; sodium hydroxide; at 20 ℃; for 1h;

acetoacetic acid methyl ester; for 12h;

Reference yield: 88.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + ethyl acetoacetate (141-97-9) → 2-methylquinoline-3,4-dicarboxylic acid (88344-65-4)

Guidance literature:

With potassium hydroxide; for 24h; Ambient temperature;

Reference yield:

ethyl acetoacetate (141-97-9) → 2-methylquinoline-3,4-dicarboxylic acid (88344-65-4)

Guidance literature:

With alkali;

upstream raw materials:

3-cyano-2-methyl-quinoline-4-carboxylic acid

indole-2,3-dione

ethyl acetoacetate

acetoacetic acid methyl ester

Downstream raw materials:

2-Methylchinolin-3,4-dicarboximid