1-[4-(1,1-Dimethylethyl)phenyl]-2-(4-pyridyl)ethanone

Base Information

Chemical Name:1-[4-(1,1-Dimethylethyl)phenyl]-2-(4-pyridyl)ethanone
CAS No.:224040-76-0
Molecular Formula:C17H19NO
Molecular Weight:253.344
Hs Code.:
DSSTox Substance ID:DTXSID50440417

Synonyms:1-[4-(1,1-DIMETHYLETHYL)PHENYL]-2-(4-PYRIDYL)ETHANONE;224040-76-0;SCHEMBL6282451;DTXSID50440417;YQTNRVGEVNERPY-UHFFFAOYSA-N;AKOS011839865

Suppliers and Price of 1-[4-(1,1-Dimethylethyl)phenyl]-2-(4-pyridyl)ethanone

Supply Marketing:

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

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Chemical Property of 1-[4-(1,1-Dimethylethyl)phenyl]-2-(4-pyridyl)ethanone

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:253.146664230
Heavy Atom Count:19
Complexity:291

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)C(=O)CC2=CC=NC=C2

Technology Process of 1-[4-(1,1-Dimethylethyl)phenyl]-2-(4-pyridyl)ethanone

There total 4 articles about 1-[4-(1,1-Dimethylethyl)phenyl]-2-(4-pyridyl)ethanone 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: 43.0%

: 224040-63-5
1-[4-(1,1-dimethylethyl)benzoyl]-2-methylaziridine

: 108-89-4
picoline

: 224040-76-0
1-[4-(1,1-dimethylethyl)-phenyl]-2-(pyridin-4-yl)ethanone

Guidance literature:: picoline; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -10 ℃; for 0.333333h;

1-[4-(1,1-dimethylethyl)benzoyl]-2-methylaziridine; In tetrahydrofuran; hexane; at -78 ℃; for 1h;
DOI:10.1248/cpb.53.410

Reference yield:

: 108-89-4
picoline

: 5406-57-5
ethyl 4-tert-butylbenzoate

: 224040-76-0
1-[4-(1,1-dimethylethyl)-phenyl]-2-(pyridin-4-yl)ethanone

Guidance literature:: With sodium hexamethyldisilazane; Multistep reaction; 1.) THF, from 0 deg C to 10 deg C, 30 min, 2.) THF, RT, 3 h;
DOI:10.1021/jm00101a012

Reference yield:

: 1710-98-1
p-tert-butyl benzoyl chloride

: 224040-76-0
1-[4-(1,1-dimethylethyl)-phenyl]-2-(pyridin-4-yl)ethanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: 100 percent / aq. NaOH / diethyl ether / 0 °C

2.1: LDA / tetrahydrofuran; hexane / 0.33 h / -10 °C

2.2: 43 percent / tetrahydrofuran; hexane / 1 h / -78 °C

With sodium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; hexane;
DOI:10.1248/cpb.53.410