4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)amino]benzoic acid tert-butyl ester

Base Information

• Chemical Name: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)amino]benzoic acid tert-butyl ester
• CAS No.: 1034975-40-0
• Molecular Formula: C₂₁H₃₃N₃O₃
• Molecular Weight: 375.511
• Mol file: 1034975-40-0.mol

Synonyms:4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)amino]benzoic acid tert-butyl ester

Chemical Property of 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)amino]benzoic acid tert-butyl ester

Chemical Property:

Purity/Quality:

97% ^*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)amino]benzoic acid tert-butyl ester

There total 7 articles about 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)amino]benzoic acid tert-butyl ester 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: 90.0%

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) + tert‐butyl 2‐amino‐4‐(4‐methylpiperazin‐1‐yl)benzoate (1034975-35-3) → tert-butyl 4-(4-methylpiperazin-1-yl)-2-(tetrahydropyran-4-ylamino)benzoate (1034975-40-0)

Guidance literature:

With trifluoroacetic acid; tetramethylammonium triacetoxyborohydride; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 90.0%

4-pyrone (108-97-4) + tert‐butyl 2‐amino‐4‐(4‐methylpiperazin‐1‐yl)benzoate (1034975-35-3) → tert-butyl 4-(4-methylpiperazin-1-yl)-2-(tetrahydropyran-4-ylamino)benzoate (1034975-40-0)

Guidance literature:

4-pyrone; tert‐butyl 2‐amino‐4‐(4‐methylpiperazin‐1‐yl)benzoate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1.5h; Inert atmosphere;

With tetramethylammonium triacetoxyborohydride; In dichloromethane; for 18h;

Reference yield: 21.0%

4-aminotetrahydropyran (38041-19-9) + 4-(4-(tert-butoxycarbonyl)-3-fluorophenyl)-1-methylpiperazin-1-ium chloride → tert-butyl 4-(4-methylpiperazin-1-yl)-2-(tetrahydropyran-4-ylamino)benzoate (1034975-40-0)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In dimethyl sulfoxide; at 160 ℃; for 48h; Inert atmosphere;

DOI:10.1002/ejoc.202101143

upstream raw materials:

Tetrahydro-4H-pyran-4-one

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

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

4-pyrone

Downstream raw materials:

tert-butyl 4-(4-methylpiperazine-1-yl)-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

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