2,5-Dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

Base Information

• Chemical Name: 2,5-Dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
• CAS No.: 106551-78-4
• Molecular Formula: C₁₆H₁₃NO₄
• Molecular Weight: 283.284
• Hs Code.: 2933499090
• ChEMBL ID: CHEMBL312616
• DSSTox Substance ID: DTXSID90544125
• Nikkaji Number: J558.062E
• Mol file: 106551-78-4.mol

Synonyms:106551-78-4;2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid;2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylic acid;2,5-Dioxo-7-phenyl-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid;CHEMBL312616;DTXSID90544125;AKOS002671358;AKOS016041867;NCGC00183286-01;VS-01922;CS-0321389;2-Hydroxy-5-oxo-7-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

Chemical Property of 2,5-Dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

Chemical Property:

• PSA: 87.49000
• LogP: 2.39810
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 283.08445790
• Heavy Atom Count: 21
• Complexity: 567

Purity/Quality:

2,5-DIOXO-7-PHENYL-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(CC(=O)C2=C1NC(=O)C(=C2)C(=O)O)C3=CC=CC=C3

Technology Process of 2,5-Dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

There total 4 articles about 2,5-Dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-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: 74.0%

7-Phenyl-1,2,5,6,7,8-hexahydro-2,5-dioxo-3-quinolinecarboxamide (106551-73-9) → 7-Phenyl-1,2,5,6,7,8-hexahydro-2,5-dioxo-3-quinolinecarboxylic acid (106551-78-4)

Guidance literature:

With hydrogenchloride; for 20h; Heating;

Reference yield:

2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid methyl ester → 7-Phenyl-1,2,5,6,7,8-hexahydro-2,5-dioxo-3-quinolinecarboxylic acid (106551-78-4)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

DOI:10.1016/S0968-0896(03)00528-5

Reference yield:

2-isopropylimino-5-phenyl-cyclohexane-1,3-dione → 7-Phenyl-1,2,5,6,7,8-hexahydro-2,5-dioxo-3-quinolinecarboxylic acid (106551-78-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / methanol / 7 h / Heating

2: KOH / ethanol / Heating

With potassium hydroxide; In methanol; ethanol;

DOI:10.1016/S0968-0896(03)00528-5

upstream raw materials:

7-Phenyl-1,2,5,6,7,8-hexahydro-2,5-dioxo-3-quinolinecarboxamide

2-((dimethylamino)methylene)-5-phenyl-cyclohexane-1,3-dione

Downstream raw materials:

7-Phenyl-7,8-dihydro-2,5-(1H,6H)-quinolinedione

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