2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-

Base Information

Chemical Name:2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-
CAS No.:259266-36-9
Molecular Formula:C19H23NO
Molecular Weight:281.398
Hs Code.:
DSSTox Substance ID:DTXSID60430844
Nikkaji Number:J1.302.085J
Mol file:259266-36-9.mol

Synonyms:259266-36-9;2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-;SCHEMBL1821014;DTXSID60430844;2-(2,6-Diisopropylanilino)-2,4,6-cycloheptatriene-1-one

Suppliers and Price of 2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-

Supply Marketing:

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

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Chemical Property of 2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-

Chemical Property:

XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:281.177964357
Heavy Atom Count:21
Complexity:440

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=C(C(=CC=C1)C(C)C)NC2=CC=CC=CC2=O

Technology Process of 2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-

There total 3 articles about 2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]- 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: 92.0%

: 24544-04-5
2,6-diisopropylbenzenamine

: 112533-23-0
2-(trifluoromethylsulfonylhydroxy)cyclohepta-2,4,6-triene-1-one

: 259266-36-9
2-[[2,6-bis(1-methylethyl)phenyl]amino]-2,4,6-cycloheptatrien-1-one

Guidance literature:: With BINAP-based palladium catalyst;
DOI:10.1021/om200362v

Reference yield: 86.0%

: 259266-36-9
2-[[2,6-bis(1-methylethyl)phenyl]amino]-2,4,6-cycloheptatrien-1-one

Guidance literature:

Reference yield:

: 533-75-5
2-hydroxy-2,4,6-cycloheptatrien-1-one

: 259266-36-9
2-[[2,6-bis(1-methylethyl)phenyl]amino]-2,4,6-cycloheptatrien-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 48 h / 20 °C

2: 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / toluene / 24 h / 90 °C / Schlenk technique

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; triethylamine; In dichloromethane; toluene; 2: |Buchwald-Hartwig Coupling;
DOI:10.1021/acs.inorgchem.8b01060