[1-(4-TrifluoroMethyl-pyriMidin-2-yl)-piperidin-3-yl]-Methanol, 98+% C11H14F3N3O, MW: 261.24

Base Information

• Chemical Name: [1-(4-TrifluoroMethyl-pyriMidin-2-yl)-piperidin-3-yl]-Methanol, 98+% C11H14F3N3O, MW: 261.24
• CAS No.: 916791-20-3
• Molecular Formula: C₁₁H₁₄F₃N₃O
• Molecular Weight: 261.247
• Hs Code.: 2933990090
• Mol file: 916791-20-3.mol

Synonyms:(1-(4-Trifluoromethylpyrimidin-2-yl)piperidin-3-yl)methanol;

Chemical Property of [1-(4-TrifluoroMethyl-pyriMidin-2-yl)-piperidin-3-yl]-Methanol, 98+% C11H14F3N3O, MW: 261.24

Chemical Property:

• PSA: 49.25000
• Density: 1.304
• LogP: 1.76910

Purity/Quality:

99% ^*data from raw suppliers

(1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-3-yl)methanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of [1-(4-TrifluoroMethyl-pyriMidin-2-yl)-piperidin-3-yl]-Methanol, 98+% C11H14F3N3O, MW: 261.24

There total 6 articles about [1-(4-TrifluoroMethyl-pyriMidin-2-yl)-piperidin-3-yl]-Methanol, 98+% C11H14F3N3O, MW: 261.24 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: 97.0%

2-(3-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)piperidin-1-yl)-4-(trifluoromethyl)pyrimidine → (1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-3-yl)methanol (916791-20-3)

Guidance literature:

With dihydrogen peroxide; potassium hydroxide; In tetrahydrofuran; water;

DOI:10.1021/jacs.9b00111

Reference yield:

t-butyl piperidin-3-ylcarbamate (184637-48-7,172603-05-3) → (1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-3-yl)methanol (916791-20-3)

Guidance literature:

Multi-step reaction with 5 steps

1.1: triethylamine / ethanol / 18 h / 80 °C

2.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

3.1: triethylamine / dichloromethane / 0.5 h / 20 °C / Molecular sieve; Sealed tube

3.2: 20 °C / Molecular sieve; Sealed tube

4.1: tetra-(n-butyl)ammonium iodide; Ni(1-bpp)Cl₂ / N,N-dimethyl acetamide / 18 h / 60 °C / Inert atmosphere

5.1: potassium hydroxide; dihydrogen peroxide / water; tetrahydrofuran

With Ni(1-bpp)Cl₂; dihydrogen peroxide; tetra-(n-butyl)ammonium iodide; triethylamine; trifluoroacetic acid; potassium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl acetamide; water; 4.1: |Negishi Coupling;

DOI:10.1021/jacs.9b00111

Reference yield:

2-chloro-4-trifluoromethylpyrimidine (33034-67-2) → (1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-3-yl)methanol (916791-20-3)

Guidance literature:

Multi-step reaction with 5 steps

1.1: triethylamine / ethanol / 18 h / 80 °C

2.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

3.1: triethylamine / dichloromethane / 0.5 h / 20 °C / Molecular sieve; Sealed tube

3.2: 20 °C / Molecular sieve; Sealed tube

4.1: tetra-(n-butyl)ammonium iodide; Ni(1-bpp)Cl₂ / N,N-dimethyl acetamide / 18 h / 60 °C / Inert atmosphere

5.1: potassium hydroxide; dihydrogen peroxide / water; tetrahydrofuran

With Ni(1-bpp)Cl₂; dihydrogen peroxide; tetra-(n-butyl)ammonium iodide; triethylamine; trifluoroacetic acid; potassium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl acetamide; water; 4.1: |Negishi Coupling;

DOI:10.1021/jacs.9b00111

upstream raw materials:

t-butyl piperidin-3-ylcarbamate

2-chloro-4-trifluoromethylpyrimidine

Refernces