2-(4-Methoxyphenyl)-6-methylquinoline-4-carboxylic acid

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-6-methylquinoline-4-carboxylic acid
• CAS No.: 116734-22-6
• Molecular Formula: C18H15NO3
• Molecular Weight: 293.322
• DSSTox Substance ID: DTXSID40974776
• Wikidata: Q82959227
• Mol file: 116734-22-6.mol

Synonyms:2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid;116734-22-6;2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylic acid;5936-79-8;Cambridge id 5936798;Oprea1_813780;AF-407/34145016;DTXSID40974776;BBL013885;MFCD01825281;STK269062;AKOS003267217;SB68769;NCGC00289005-01;VS-04034;CS-0314316;AB00282202-02;A832486;2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylicacid;2-(4-methoxyphenyl)-6-methyl-quinoline-4-carboxylic acid

Chemical Property of 2-(4-Methoxyphenyl)-6-methylquinoline-4-carboxylic acid

Chemical Property:

• Melting Point: 230-231 °C
• Boiling Point: 498.0±45.0 °C(Predicted)
• PKA: 1.11±0.30(Predicted)
• PSA: 59.42000
• Density: 1.248±0.06 g/cm3(Predicted)
• LogP: 3.91700
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 293.10519334
• Heavy Atom Count: 22
• Complexity: 392

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methoxyphenyl)-6-methylquinoline-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)OC

Technology Process of 2-(4-Methoxyphenyl)-6-methylquinoline-4-carboxylic acid

There total 3 articles about 2-(4-Methoxyphenyl)-6-methylquinoline-4-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: 71.0%

p-toluidine (106-49-0,12221-03-3) + 4-methoxy-benzaldehyde (123-11-5) + 2-oxo-propionic acid (127-17-3) → 2-(4-methoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid (116734-22-6)

Guidance literature:

With ytterbium perfluorooctanoate; In water; for 3h; Reflux;

DOI:10.1016/j.jfluchem.2009.01.002

Reference yield:

p-toluidine (106-49-0,12221-03-3) + 4-methoxy-benzaldehyde (123-11-5) → 2-(4-methoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid (116734-22-6)

Guidance literature:

man kocht das Kondensationsprodukts mit Brenztraubensaeure in Alkohol;

Reference yield:

→ 2-(4-methoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid (116734-22-6)

Guidance literature:

5-Methyl-isatin, p-Methoxy-acetophenon;

DOI:10.1021/jm00308a019

upstream raw materials:

p-toluidine

4-methoxy-benzaldehyde

2-oxo-propionic acid

Downstream raw materials:

2-(4-hydroxy-phenyl)-6-methyl-quinoline-4-carboxylic acid