5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt

Base Information

Chemical Name:5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt
CAS No.:1380427-83-7
Molecular Formula:C₂HF₃O₂*C₂₆H₂₂F₃N₅O₂S
Molecular Weight:639.578
Hs Code.:

5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt

Synonyms:5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt

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Chemical Property of 5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt

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Technology Process of 5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt

There total 6 articles about 5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt 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: 12.64%

: 1380428-00-1
5-[2-({5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile

: 76-05-1
trifluoroacetic acid

: 74-88-4
methyl iodide

: 1380427-83-7
5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt

Guidance literature:: 5-[2-({5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile; methyl iodide; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 60 ℃; for 0.5h;

trifluoroacetic acid; In dichloromethane; water; acetonitrile;

Reference yield:

: 25016-11-9
1-methylpyrazole-4-carbaldehyde

: 1380427-83-7
5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt

Guidance literature:: Multi-step reaction with 6 steps

1.1: piperidine; pyridine / 4 h / 110 °C / Inert atmosphere

1.2: pH 1

2.1: methanol; sulfuric acid / 4 h / Reflux

3.1: hydrogen / palladium on activated charcoal / ethanol / 12 h / 20 - 40 °C

4.1: potassium tert-butylate / tetrahydrofuran / 20 °C / Cooling with ice; Inert atmosphere

4.2: 50 °C

4.3: 1 h / pH 3 / Cooling with ice

5.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 60 °C

6.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 60 °C

With piperidine; pyridine; methanol; sulfuric acid; potassium tert-butylate; hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;

Reference yield:

: 689251-97-6
(E)-3-(1-methyl-1H-pyrazol-4-yl)acrylic acid

: 1380427-83-7
5-[2-({1-methyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}thio)ethyl]-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile trifluoroacetic acid salt

Guidance literature:: Multi-step reaction with 5 steps

1.1: methanol; sulfuric acid / 4 h / Reflux

2.1: hydrogen / palladium on activated charcoal / ethanol / 12 h / 20 - 40 °C

3.1: potassium tert-butylate / tetrahydrofuran / 20 °C / Cooling with ice; Inert atmosphere

3.2: 50 °C

3.3: 1 h / pH 3 / Cooling with ice

4.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 60 °C

5.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 60 °C

With methanol; sulfuric acid; potassium tert-butylate; hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;