5,5-Dimethyl-3-o-tolylamino-cyclohex-2-enone

Base Information

• Chemical Name: 5,5-Dimethyl-3-o-tolylamino-cyclohex-2-enone
• CAS No.: 61997-76-0
• Molecular Formula: C15H19NO
• Molecular Weight: 229.322
• DSSTox Substance ID: DTXSID90351371
• Nikkaji Number: J1.316.888A
• Wikidata: Q82127744
• ChEMBL ID: CHEMBL3212584

Synonyms:61997-76-0;5,5-Dimethyl-3-o-tolylamino-cyclohex-2-enone;ST024316;Cambridge id 5404794;MLS000525504;CHEMBL3212584;DTXSID90351371;5,5-dimethyl-3-[(2-methylphenyl)amino]cyclohex-2-en-1-one;HMS2451C05;AKOS000610532;SMR000115978;AB00084219-01;SR-01000479703;5,5-Dimethyl-3-(o-tolylamino)cyclohex-2-en-1-one;SR-01000479703-1

Chemical Property of 5,5-Dimethyl-3-o-tolylamino-cyclohex-2-enone

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.146664230
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC2=CC(=O)CC(C2)(C)C

Technology Process of 5,5-Dimethyl-3-o-tolylamino-cyclohex-2-enone

There total 3 articles about 5,5-Dimethyl-3-o-tolylamino-cyclohex-2-enone 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: 95.0%

dimedone (126-81-8) + o-toluidine (95-53-4) → 5,5-dimethyl-3-(o-tolylamino)cyclohex-2-enone (61997-76-0)

Guidance literature:

With silica sulfuric acid; In acetonitrile; for 0.0166667h; Microwave irradiation;

DOI:10.1080/10426507.2010.492365

Reference yield: 90.0%

2-methylchlorobenzene (95-49-8) + 1-amino-5,5-dimethylcyclohexen-3-one (873-95-0) → 5,5-dimethyl-3-(o-tolylamino)cyclohex-2-enone (61997-76-0)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; caesium carbonate; DavePhos; In tetrahydrofuran; at 80 ℃; for 20h;

DOI:10.1021/ol000031z

Reference yield:

→ 5,5-dimethyl-3-(o-tolylamino)cyclohex-2-enone (61997-76-0)

Guidance literature:

Dimedon, o-Toluidin / H2O-Abscheidung;

upstream raw materials:

dimedone

o-toluidine

2-methylchlorobenzene

1-amino-5,5-dimethylcyclohexen-3-one

Downstream raw materials:

ethyl 1'-benzyl-3,3,5-trimethyl-1,2'-dioxo-5'-phenyl-1',2,2',3,4,10-hexahydro-1H-spiro[acridine-9,3'-pyrrole]-4'-carboxylate

N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-1-(o-tolyl)-2,3,4,5,6,7-hexahydro-1H-indole-3-carboxamide

6,6-dimethyl-1-(2-methylphenyl)-6,7-dihydrospiro[indole-3,1'-isoindoline]-2,3',4(1H,5H)-trione

9-(4,4-dimethyl-6-oxo-2-(o-tolylamino)cyclohex-1-enyl)-3,3-dimethyl-10-o-tolyl-3,4,9,10-tetrahydroacridin-1(2H)-one

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