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

Base Information

Chemical Name:2,5-Dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CAS No.:125885-51-0
Molecular Formula:C16H13NO4
Molecular Weight:283.284
Hs Code.:
DSSTox Substance ID:DTXSID701163571
ChEMBL ID:CHEMBL1868608

Synonyms:125885-51-0;2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid;2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid;CHEMBRDG-BB 5561748;Oprea1_084807;MLS000716604;SCHEMBL9802758;CHEMBL1868608;FJSNSFADDNXWFS-UHFFFAOYSA-N;DTXSID701163571;HMS1697F18;HMS2644A19;STK374917;AKOS000601701;CCG-107913;SMR000278121;CS-0358996;1,2,5,6,7,8-Hexahydro-2,5-dioxo-1-phenyl-3-quinolinecarboxylic acid;2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydro-3-quinoline carboxylic acid;2,5-Dioxo-1-phenyl-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylic acid

Suppliers and Price of 2,5-Dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2,5-DIOXO-1-PHENYL-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLIC ACID 95.00%
5MG
$ 503.04

Total 4 raw suppliers

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

Chemical Property:

PSA：76.37000
LogP:2.05470
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:283.08445790
Heavy Atom Count:21
Complexity:567

Purity/Quality:

98%+ ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=C(C=C(C(=O)N2C3=CC=CC=C3)C(=O)O)C(=O)C1

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

There total 3 articles about 2,5-Dioxo-1-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: 53.2%

: 2,5-Dioxo-5,6,7,8-tetrahydro-2H-chromene-3-carboxylic acid ethyl ester

: 62-53-3
aniline

: 125885-51-0
2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydro-3-quinoline carboxylic acid

Guidance literature:: In ethanol; at 20 ℃; for 16h;
DOI:10.1016/j.bmc.2021.116137

Reference yield:

: 62370-70-1
2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester

: 125885-51-0
2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydro-3-quinoline carboxylic acid

Guidance literature:: In hydrogenchloride;

Reference yield:

: 504-02-9
1,3-cylohexanedione

: 125885-51-0
2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydro-3-quinoline carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium tert-butylate / N,N-dimethyl-formamide / 21 h / 20 °C

2: ethanol / 6 h / 20 °C

With potassium tert-butylate; In ethanol; N,N-dimethyl-formamide;