5,5-Dimethyl-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one

Base Information

Chemical Name:5,5-Dimethyl-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one
CAS No.:24706-49-8
Molecular Formula:C14H16N2O3
Molecular Weight:260.293
Hs Code.:
DSSTox Substance ID:DTXSID701200632
ChEMBL ID:CHEMBL3194066
Mol file:24706-49-8.mol

Synonyms:24706-49-8;5,5-dimethyl-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one;5,5-dimethyl-3-(4-nitroanilino)cyclohex-2-en-1-one;2-Cyclohexen-1-one, 5,5-dimethyl-3-[(4-nitrophenyl)amino]-;5,5-Dimethyl-3-((4-nitrophenyl)amino)cyclohex-2-en-1-one;MLS001204688;5,5-Dimethyl-3-(4-nitro-phenylamino)-cyclohex-2-enone;CHEMBL3194066;DTXSID701200632;HMS2816N10;AKOS000517907;NS-00125;SMR000523263;SR-01000314457;SR-01000314457-1;5,5-Dimethyl-3-[(4-nitrophenyl)amino]-2-cyclohexen-1-one

Suppliers and Price of 5,5-Dimethyl-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one

Supply Marketing:

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

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Chemical Property of 5,5-Dimethyl-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:260.11609238
Heavy Atom Count:19
Complexity:401

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)[N+](=O)[O-])C

Technology Process of 5,5-Dimethyl-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one

There total 7 articles about 5,5-Dimethyl-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one 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: 96.0%

: 126-81-8
dimedone

: 100-01-6,104810-17-5
4-nitro-aniline

: 24706-49-8
3-(4-nitrophenylamino)-5,5-dimethylcyclohex-2-enone

Guidance literature:: With fibrous nano silica sulfuric acid; In neat (no solvent); at 80 ℃; for 0.0333333h; Green chemistry;
DOI:10.1007/s10562-013-1190-4

Reference yield: 92.0%

: 873-95-0
1-amino-5,5-dimethylcyclohexen-3-one

: 100-00-5
4-chlorobenzonitrile

: 24706-49-8
3-(4-nitrophenylamino)-5,5-dimethylcyclohex-2-enone

Guidance literature:: With caesium carbonate; DavePhos; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; at 80 ℃; for 2.5h;
DOI:10.1021/ol000031z