Pyridin-3-yl(4-(trifluoromethyl)phenyl)methanone

Base Information

Chemical Name:Pyridin-3-yl(4-(trifluoromethyl)phenyl)methanone
CAS No.:21221-92-1
Molecular Formula:C13H8F3NO
Molecular Weight:251.208
Hs Code.:
DSSTox Substance ID:DTXSID701245193
Nikkaji Number:J591.359D
Mol file:21221-92-1.mol

Synonyms:21221-92-1;Pyridin-3-yl(4-(trifluoromethyl)phenyl)methanone;3-(4-Trifluoromethylbenzoyl)pyridine;Pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanone;(4-(trifluoroMethyl)phenyl)(pyridin-3-yl)Methanone;3-[4-(Trifluoromethyl)benzoyl]pyridine;SCHEMBL15648102;DTXSID701245193;WAA22192;MFCD13152905;AKOS012086563;AS-63789;CS-0060435;3-Pyridinyl[4-(trifluoromethyl)phenyl]methanone;Y10753

Suppliers and Price of Pyridin-3-yl(4-(trifluoromethyl)phenyl)methanone

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of Pyridin-3-yl(4-(trifluoromethyl)phenyl)methanone

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:251.05579836
Heavy Atom Count:18
Complexity:295

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CN=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F

Technology Process of Pyridin-3-yl(4-(trifluoromethyl)phenyl)methanone

There total 5 articles about Pyridin-3-yl(4-(trifluoromethyl)phenyl)methanone 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: 91.0%

: 626-55-1,163928-56-1
3-Bromopyridine

: 116332-61-7
N-methoxy-N-methyl-4-trifluoromethylbenzamide

: 21221-92-1
(pyridin-3-yl)(4-(trifluoromethyl)phenyl)methanone

Guidance literature:: 3-Bromopyridine; With n-butyllithium; In diethyl ether; hexane; at -70 ℃; for 1.5h; Inert atmosphere; Cooling with acetone-dry ice;

N-methoxy-N-methyl-4-trifluoromethylbenzamide; In tetrahydrofuran; diethyl ether; hexane; at -70 - 20 ℃; for 4.5h; Inert atmosphere; Cooling with acetone-dry ice;
DOI:10.1021/jm2015809

Reference yield: 89.0%

: 500-22-1
3-pyridinecarboxaldehyde

: 402-43-7
p-trifluoromethylphenyl bromide

: 21221-92-1
(pyridin-3-yl)(4-(trifluoromethyl)phenyl)methanone

Guidance literature:: p-trifluoromethylphenyl bromide; With magnesium; In tetrahydrofuran; at 20 ℃; for 1h;

3-pyridinecarboxaldehyde; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; potassium carbonate; In tetrahydrofuran; tert-butyl alcohol; for 23h; Reflux; Darkness;
DOI:10.1016/j.tet.2012.05.059

Reference yield:

: 329-15-7
4-trifluoromethyl-phenyl acetyl chloride

: 21221-92-1
(pyridin-3-yl)(4-(trifluoromethyl)phenyl)methanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 0 - 20 °C

2.1: n-butyllithium / diethyl ether; hexane / 1.5 h / -70 °C / Inert atmosphere; Cooling with acetone-dry ice

2.2: 4.5 h / -70 - 20 °C / Inert atmosphere; Cooling with acetone-dry ice

With n-butyllithium; triethylamine; In diethyl ether; hexane; dichloromethane;
DOI:10.1021/jm2015809