4-[2-[[2-(4-Bromo-2,5-difluorophenyl)-6-methyl-4-pyrimidinyl]amino]ethyl]-2(1H)-pyridinone

Base Information

Chemical Name:4-[2-[[2-(4-Bromo-2,5-difluorophenyl)-6-methyl-4-pyrimidinyl]amino]ethyl]-2(1H)-pyridinone
CAS No.:764708-29-4
Molecular Formula:C₁₈H₁₅BrF₂N₄O
Molecular Weight:421.244
Hs Code.:
DSSTox Substance ID:DTXSID501122030
ChEMBL ID:CHEMBL2069552

Synonyms:CHEMBL2069552;DTXSID501122030;4-[2-[[2-(4-Bromo-2,5-difluorophenyl)-6-methyl-4-pyrimidinyl]amino]ethyl]-2(1H)-pyridinone;764708-29-4

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Chemical Property of 4-[2-[[2-(4-Bromo-2,5-difluorophenyl)-6-methyl-4-pyrimidinyl]amino]ethyl]-2(1H)-pyridinone

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:420.03973
Heavy Atom Count:26
Complexity:573

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=NC(=N1)C2=CC(=C(C=C2F)Br)F)NCCC3=CC(=O)NC=C3

Technology Process of 4-[2-[[2-(4-Bromo-2,5-difluorophenyl)-6-methyl-4-pyrimidinyl]amino]ethyl]-2(1H)-pyridinone

There total 11 articles about 4-[2-[[2-(4-Bromo-2,5-difluorophenyl)-6-methyl-4-pyrimidinyl]amino]ethyl]-2(1H)-pyridinone 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:

: 764708-28-3
2-(4-bromo-2,5-difluorophenyl)-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-methylpyrimidin-4-amine

: 764708-29-4
4-(2-{[2-(4-Bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino}ethyl)pyridin-2(1H)-one

Guidance literature:: 2-(4-bromo-2,5-difluorophenyl)-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-methylpyrimidin-4-amine; With hydrogen bromide; In water; at 80 ℃;

With sodium hydrogencarbonate; In water; ethyl acetate; at 20 ℃;
DOI:10.1016/j.bmc.2012.06.049

Reference yield:

: 58481-11-1
methyl 2-chloroisonicotinate

: 764708-29-4
4-(2-{[2-(4-Bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino}ethyl)pyridin-2(1H)-one

Guidance literature:: Multi-step reaction with 7 steps

1.1: 1,4-dioxane / 26 h / Reflux

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 °C / Inert atmosphere

3.1: thionyl chloride / 2.25 h / 0 °C

4.1: 18-crown-6 ether / acetonitrile / 13 h / 20 °C

5.1: hydrogen; ammonium hydroxide / ethanol / 22 h / 20 °C

6.1: 1,3-dimethyl-2-imidazolidinone; potassium carbonate / 80 °C

7.1: hydrogen bromide / water / 80 °C

7.2: 20 °C

With 1,3-dimethyl-2-imidazolidinone; ammonium hydroxide; lithium aluminium tetrahydride; thionyl chloride; 18-crown-6 ether; hydrogen bromide; hydrogen; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; ethanol; water; acetonitrile;
DOI:10.1016/j.bmc.2012.06.049

Reference yield:

: 2-(2-methoxypyridin-4-yl)acetonitrile

: 764708-29-4
4-(2-{[2-(4-Bromo-2,5-difluorophenyl)-6-methylpyrimidin-4-yl]amino}ethyl)pyridin-2(1H)-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: hydrogen; ammonium hydroxide / ethanol / 22 h / 20 °C

2.1: 1,3-dimethyl-2-imidazolidinone; potassium carbonate / 80 °C

3.1: hydrogen bromide / water / 80 °C

3.2: 20 °C

With 1,3-dimethyl-2-imidazolidinone; ammonium hydroxide; hydrogen bromide; hydrogen; potassium carbonate; In ethanol; water;
DOI:10.1016/j.bmc.2012.06.049