N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate

Base Information

• Chemical Name: N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate
• CAS No.: 1412492-90-0
• Molecular Formula: C₂HF₃O₂*C₂₄H₂₃F₃N₄O₂S
• Molecular Weight: 602.557
• Mol file: 1412492-90-0.mol

Synonyms:N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate

Chemical Property of N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate

There total 4 articles about N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate 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:

N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (1312535-00-4) + methyl 2,2-dimethyl-4-oxocyclohexane-1-carboxylate (1312535-32-2) + trifluoroacetic acid (76-05-1) → N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate (1412492-90-0)

Guidance literature:

N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine; With n-butyllithium; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at -78 - -50 ℃; for 0.75h;

methyl 2,2-dimethyl-4-oxocyclohexane-1-carboxylate; In tetrahydrofuran; at -65 ℃; for 0.333333h;

trifluoroacetic acid; In water; acetonitrile;

Reference yield:

2-chloro-4-trifluoromethylpyrimidine (33034-67-2) → N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate (1412492-90-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: methanesulfonic acid / 1,4-dioxane / Reflux

1.2: pH 7 - 8

2.1: potassium acetate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,4-dioxane / Reflux

3.1: N-ethyl-N,N-diisopropylamine; n-butyllithium / tetrahydrofuran / 0.75 h / -78 - -50 °C

3.2: 0.33 h / -65 °C

With n-butyllithium; methanesulfonic acid; potassium acetate; N-ethyl-N,N-diisopropylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; 1,4-dioxane;

Reference yield:

3-bromo-5-methylaniline (74586-53-1) → N-(3-{2-[(2,2-dimethyl-4-oxocyclohexyl)carbonyl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-aminium trifluoroacetate (1412492-90-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: methanesulfonic acid / 1,4-dioxane / Reflux

1.2: pH 7 - 8

2.1: potassium acetate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,4-dioxane / Reflux

3.1: N-ethyl-N,N-diisopropylamine; n-butyllithium / tetrahydrofuran / 0.75 h / -78 - -50 °C

3.2: 0.33 h / -65 °C

With n-butyllithium; methanesulfonic acid; potassium acetate; N-ethyl-N,N-diisopropylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; 1,4-dioxane;

upstream raw materials:

N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

methyl 2,2-dimethyl-4-oxocyclohexane-1-carboxylate

trifluoroacetic acid

2-chloro-4-trifluoromethylpyrimidine

Downstream raw materials:

4-{hydroxy [5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]methyl}-3,3-dimethylcyclohexanol