Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]-

Base Information

Chemical Name:Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS No.:119046-91-2
Molecular Formula:C16H22O
Molecular Weight:230.35
Hs Code.:
DSSTox Substance ID:DTXSID20451777
Nikkaji Number:J2.589.612B
Mol file:119046-91-2.mol

Synonyms:119046-91-2;Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]-;2-(4-tert-butylphenyl)cyclohexan-1-one;SCHEMBL6519821;DTXSID20451777;2-(4-tert-Butylphenyl)cyclohexanone;AKOS011895473;EN300-1153097

Suppliers and Price of Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]-

Supply Marketing:

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

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Chemical Property of Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]-

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:230.167065321
Heavy Atom Count:17
Complexity:266

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C2CCCCC2=O

Technology Process of Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]-

There total 4 articles about Cyclohexanone, 2-[4-(1,1-dimethylethyl)phenyl]- 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: 86.0%

: 253185-03-4,253185-04-5
tert-butylbenzene

: 2562-37-0
1-nitrocyclohexene

: 119046-91-2
2-[4-(1,1-dimethylethyl)phenyl]-cyclohexanone

Guidance literature:: With titanium tetrachloride; In dichloromethane; for 0.5h; Ambient temperature;
DOI:10.1016/0040-4039(88)85062-7

Reference yield: 65.0%

: 3972-56-3
4-(tert-butyl)chlorobenzene

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 119046-91-2
2-[4-(1,1-dimethylethyl)phenyl]-cyclohexanone

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; trYPhos; sodium t-butanolate; In tetrahydrofuran; at 20 ℃; for 7h; Reagent/catalyst; Temperature; Inert atmosphere; Glovebox;
DOI:10.1021/acs.orglett.9b02830

Reference yield: 57.5%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 119046-91-2
2-[4-(1,1-dimethylethyl)phenyl]-cyclohexanone

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 85 ℃; for 20h; Inert atmosphere;