7,7-dimethyl-7,8-dihydroquinoline-2,5(1H,6H)-dione

Base Information

• Chemical Name: 7,7-dimethyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
• CAS No.: 55119-00-1
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.22600
• Hs Code.: 2933499090
• ChEMBL ID: CHEMBL309632
• DSSTox Substance ID: DTXSID20542750
• Nikkaji Number: J558.056K
• Wikidata: Q82419502
• Mol file: 55119-00-1.mol

Synonyms:55119-00-1;7,7-dimethyl-7,8-dihydroquinoline-2,5(1H,6H)-dione;7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione;MFCD09837269;7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione;CHEMBL309632;SCHEMBL4325559;DTXSID20542750;SSJBKGDLBXMVBQ-UHFFFAOYSA-N;AKOS000320150;CCG-344327;GS-0638;SY304746;CS-0071909;VU0494697-1;EN300-238581;F52280;5-oxo-7,7-dimethyl-5,6,7,8-tetrahydro-carbostyril;7,7-Dimethyl-7,8-dihydro-1H,6H-quinoline-2,5-dione;F2124-0327;Z1198233894;5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-2(1H)-quinolinone

Chemical Property of 7,7-dimethyl-7,8-dihydroquinoline-2,5(1H,6H)-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 387.237oC at 760 mmHg
• Flash Point: 171.548oC
• PSA: 49.93000
• Density: 1.183g/cm3
• LogP: 1.53000
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 375

Purity/Quality:

98%min ^*data from raw suppliers

7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=C(C=CC(=O)N2)C(=O)C1)C

Technology Process of 7,7-dimethyl-7,8-dihydroquinoline-2,5(1H,6H)-dione

There total 12 articles about 7,7-dimethyl-7,8-dihydroquinoline-2,5(1H,6H)-dione 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: 78.8%

5-oxo-7,7-dimethyl-5,6,7,8-tetrahydrocoumarin (33777-71-8) → 7,7-Dimethyl-7,8-dihydro-2,5-(1H,6H)-quinolinedione (55119-00-1)

Guidance literature:

With ammonium acetate; acetic acid; Reflux;

Reference yield: 78.5%

1-amino-5,5-dimethylcyclohexen-3-one (873-95-0) + propynoic acid ethyl ester (623-47-2) → 7,7-Dimethyl-7,8-dihydro-2,5-(1H,6H)-quinolinedione (55119-00-1)

Guidance literature:

Reference yield: 78.5%

→ 7,7-Dimethyl-7,8-dihydro-2,5-(1H,6H)-quinolinedione (55119-00-1)

Guidance literature:

upstream raw materials:

7,7-Dimethyl-1,2,5,6,7,8-hexahydro-2,5-dioxo-3-quinolinecarboxylic acid

2-(γ-N,N-dimethylamino-γ-N',N'-dimethylacetamidino-propylidene)-5,5-dimethylcyclohexane-1,3-dione

2-dimethylaminomethylene-5,5-dimethylcyclohexane-1,3-dione

2-(aminomethylene)-5,5-dimethylcyclohexane-1,3-dione

Downstream raw materials:

11H-3-oxo-6,6-dimethyl-3,4,5,6-tetrahydropyrido<3,2-a>carbazole