4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate

Base Information

• Chemical Name: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate
• CAS No.: 1034975-62-6
• Molecular Formula: C₂HF₃O₂*C₁₉H₂₄F₃N₃O₄
• Molecular Weight: 529.436
• Mol file: 1034975-62-6.mol

Synonyms:4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate

Chemical Property of 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate

There total 10 articles about 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid 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: 99.0%

tert-butyl 4-(4-methylpiperazine-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoate (1034975-53-5) + trifluoroacetic acid (76-05-1) → 4-(4-methylpiperazine-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoic acid trifluoroacetic acid salt (1034975-62-6)

Guidance literature:

In dichloromethane; at 0 - 22 ℃; Inert atmosphere;

DOI:10.1002/ejoc.202101143

Reference yield:

4-aminotetrahydropyran (38041-19-9) → 4-(4-methylpiperazine-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoic acid trifluoroacetic acid salt (1034975-62-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 1,4-diaza-bicyclo[2.2.2]octane / dimethyl sulfoxide / 16 h / 100 °C / Inert atmosphere

2: triethylamine / dichloromethane / 22 °C

3: nickel(II) bromide dimethoxyethane; 1,4-diaza-bicyclo[2.2.2]octane; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate / dimethyl sulfoxide / 0.5 h / 50 °C / Inert atmosphere; Irradiation; Flow reactor

4: dichloromethane / 0 - 22 °C / Inert atmosphere

With 1,4-diaza-bicyclo[2.2.2]octane; nickel(II) bromide dimethoxyethane; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; triethylamine; In dichloromethane; dimethyl sulfoxide;

DOI:10.1002/ejoc.202101143

Reference yield:

tert-butyl 4-bromo-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoate → 4-(4-methylpiperazine-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoic acid trifluoroacetic acid salt (1034975-62-6)

Guidance literature:

Multi-step reaction with 2 steps

1: nickel(II) bromide dimethoxyethane; 1,4-diaza-bicyclo[2.2.2]octane; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate / dimethyl sulfoxide / 0.5 h / 50 °C / Inert atmosphere; Irradiation; Flow reactor

2: dichloromethane / 0 - 22 °C / Inert atmosphere

With 1,4-diaza-bicyclo[2.2.2]octane; nickel(II) bromide dimethoxyethane; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In dichloromethane; dimethyl sulfoxide;

DOI:10.1002/ejoc.202101143

upstream raw materials:

tert-butyl 4-(4-methylpiperazine-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoate

trifluoroacetic acid

tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate

tert‐butyl 2‐amino‐4‐(4‐methylpiperazin‐1‐yl)benzoate

Downstream raw materials:

4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)-(2,2,2-trifluoroacetyl)amino]benzoyl chloride

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzamide

N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((tetrahydro-2H-pyran-4-yl)amino)benzamide