8-Methylquinoline-5-carboxylic acid

Base Information

• Chemical Name: 8-Methylquinoline-5-carboxylic acid
• CAS No.: 74316-52-2
• Molecular Formula: C11H9 N O2
• Molecular Weight: 187.19
• DSSTox Substance ID: DTXSID20513743
• Wikidata: Q82373689
• Mol file: 74316-52-2.mol

Synonyms:8-methylquinoline-5-carboxylic acid;74316-52-2;5-Quinolinecarboxylicacid, 8-methyl-;8-methyl-5-quinolinecarboxylic acid;SCHEMBL3901228;DTXSID20513743;QJXFWYXZXLRASZ-UHFFFAOYSA-N;8-Methylquinoline-5-carboxylicacid;AKOS000132129;SB67960;EN300-345733

Chemical Property of 8-Methylquinoline-5-carboxylic acid

Chemical Property:

• PSA: 50.19000
• LogP: 2.24140
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.063328530
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

8-Methylquinoline-5-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1)C(=O)O)C=CC=N2

Technology Process of 8-Methylquinoline-5-carboxylic acid

There total 9 articles about 8-Methylquinoline-5-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: 80.0%

3-amino-p-toluic acid (2458-12-0) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 8-methyl-5-quinolinecarboxylic acid (74316-52-2)

Guidance literature:

With Fe(SO₃C₆H₄NO₂)3*4.5H₂O; In sulfuric acid; at 140 ℃; for 4h;

DOI:10.1007/BF02401726

Reference yield: 41.0%

8-methylquinoline-5-carbonitrile (74316-57-7) → 8-methyl-5-quinolinecarboxylic acid (74316-52-2)

Guidance literature:

With sulfuric acid; at 120 ℃; for 2h;

DOI:10.1007/BF02401726

Reference yield: 4.0%

5,8-dimethylquinoline (2623-50-9) → 8-methyl-5-quinolinecarboxylic acid (74316-52-2)

Guidance literature:

With nitric acid; In water; at 200 ℃; for 0.25h; sealed ampoule;

DOI:10.1007/BF02401726

upstream raw materials:

5,8-dimethylquinoline

8-methylquinoline-5-carbonitrile

3-amino-p-toluic acid

glycerol

Downstream raw materials:

8-Methylquinoline-5-carboxylic acid anilide

8-Methylquinoline-5-carboxylic acid hydrazide