2-Amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Base Information

Chemical Name:2-Amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No.:339339-19-4
Molecular Formula:C₂₅H₂₄N₄O₃
Molecular Weight:428.491
Hs Code.:
European Community (EC) Number:648-276-7
Nikkaji Number:J2.451.710A

Synonyms:339339-19-4;2-Amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;Oprea1_137220;2-amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;SALOR-INT L220663-1EA;AKOS001716551;AKOS022014000;SR-01000516115;SR-01000516115-1;2-amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Suppliers and Price of 2-Amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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-AMINO-7,7-DIMETHYL-1-(4-METHYLPHENYL)-4-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE 95.00%
5MG
$ 499.51

Total 1 raw suppliers

Chemical Property of 2-Amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:428.18484064
Heavy Atom Count:32
Complexity:911

Purity/Quality:

97% ^*data from raw suppliers

2-AMINO-7,7-DIMETHYL-1-(4-METHYLPHENYL)-4-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CC(C3)(C)C

Technology Process of 2-Amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

There total 4 articles about 2-Amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 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: 99.0%

: 36646-78-3
3-(p-tolylamino)-5,5-dimethylcyclohex-2-enone

: 99-61-6
3-nitro-benzaldehyde

: 109-77-3
malononitrile

: 339339-19-4
2-amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Guidance literature:: With 1-butyl-3-methylimidazolium Tetrafluoroborate; at 90 ℃; for 5h;
DOI:10.1016/j.tet.2007.03.068

Reference yield: 98.0%

: 99-61-6
3-nitro-benzaldehyde

: 106-49-0,12221-03-3
p-toluidine

: 126-81-8
dimedone

: 109-77-3
malononitrile

: 339339-19-4
2-amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Guidance literature:: With zirconium(IV) hydrogenphosphate monohydrate; In neat (no solvent); at 80 ℃; for 2h; Green chemistry;
DOI:10.5560/ZNB.2013-2237

Reference yield:

: 106-49-0,12221-03-3
p-toluidine

: 339339-19-4
2-amino-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: water / Reflux

2: 1,4-diaza-bicyclo[2.2.2]octane; tetraethylammonium bromide / water / 0.42 h / Reflux; Green chemistry

With 1,4-diaza-bicyclo[2.2.2]octane; tetraethylammonium bromide; In water;