4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile

Base Information

Chemical Name:4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile
CAS No.:1380427-47-3
Molecular Formula:C₂₆H₁₇ClF₃N₃O₂S
Molecular Weight:527.954
Hs Code.:

Synonyms:4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile

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Chemical Property of 4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile

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Technology Process of 4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile

There total 6 articles about 4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile 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: 31.4%

: 1369255-78-6
1-chloro-4-(4-(chloromethyl)phenoxy)-2-(trifluoromethyl)benzene

: 1380430-58-9
4-[(4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methyl]benzonitrile

: 1380427-47-3
4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile

Guidance literature:: 4-[(4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methyl]benzonitrile; With potassium carbonate; In acetone; at 20 ℃; for 0.0833333h;

1-chloro-4-(4-(chloromethyl)phenoxy)-2-(trifluoromethyl)benzene; In acetone; at 60 ℃; for 3h; Inert atmosphere;

Reference yield:

: 623-00-7
4-bromobenzenecarbonitrile

: 1380427-47-3
4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1.1: triethylamine / palladium diacetate; tris-(o-tolyl)phosphine / N,N-dimethyl-formamide / 1 h / 110 °C / Inert atmosphere

2.1: formic acid; triethylamine / palladium 10% on activated carbon / water; ethyl acetate / 1 h / 90 °C / Inert atmosphere; Reflux

3.1: sodium hydride / 1,2-dimethoxyethane / 20 °C

4.1: ethanol / 3 h / 90 °C / Inert atmosphere

4.2: pH 4 - 5

5.1: potassium carbonate / acetone / 0.08 h / 20 °C

5.2: 3 h / 60 °C / Inert atmosphere

With formic acid; ethanol; sodium hydride; potassium carbonate; triethylamine; palladium 10% on activated carbon; palladium diacetate; tris-(o-tolyl)phosphine; In 1,2-dimethoxyethane; water; ethyl acetate; N,N-dimethyl-formamide; acetone; 1.1: Heck Reaction;

Reference yield:

: 20655-58-7,92636-30-1,62174-99-6
ethyl (E)-4-cyanocinnamate

: 1380427-47-3
4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: formic acid; triethylamine / palladium 10% on activated carbon / water; ethyl acetate / 1 h / 90 °C / Inert atmosphere; Reflux

2.1: sodium hydride / 1,2-dimethoxyethane / 20 °C

3.1: ethanol / 3 h / 90 °C / Inert atmosphere

3.2: pH 4 - 5

4.1: potassium carbonate / acetone / 0.08 h / 20 °C

4.2: 3 h / 60 °C / Inert atmosphere

With formic acid; ethanol; sodium hydride; potassium carbonate; triethylamine; palladium 10% on activated carbon; In 1,2-dimethoxyethane; water; ethyl acetate; acetone;