4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid

Base Information

• Chemical Name: 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid
• CAS No.: 1163247-87-7
• Molecular Formula: C₁₆H₂₁FN₂O₄
• Molecular Weight: 324.352
• Mol file: 1163247-87-7.mol

Synonyms:4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid

Chemical Property of 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid

Chemical Property:

• Boiling Point: 471.7±45.0 °C(Predicted)
• Density: 1.263±0.06 g/cm3(Predicted)

Purity/Quality:

purity more 98% ^*data from raw suppliers

4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid

There total 6 articles about 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid 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: 100.0%

tert-butyl 4-(2-fluoro-4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate (570408-10-5) → 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid (1163247-87-7)

Guidance literature:

tert-butyl 4-(2-fluoro-4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate; With lithium hydroxide; In 1,4-dioxane; at 20 ℃; for 23h; Inert atmosphere;

With hydrogenchloride; In water;

Reference yield:

4-(4-cyano-2-fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (929884-77-5) → 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid (1163247-87-7)

Guidance literature:

4-(4-cyano-2-fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester; With potassium hydroxide; water; In ethanol; at 100 ℃; for 14h;

With hydrogenchloride; In water; pH=2;

Reference yield:

methyl 3,4-difluorobenzoate (369-25-5) → 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid (1163247-87-7)

Guidance literature:

Multi-step reaction with 3 steps

1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 8 h / Reflux

2: triethylamine / 0 - 20 °C / Inert atmosphere

3: lithium hydroxide monohydrate / tetrahydrofuran; water / 20 °C

With dipotassium hydrogenphosphate; lithium hydroxide monohydrate; triethylamine; In tetrahydrofuran; water; dimethyl sulfoxide;

DOI:10.1016/j.ejmech.2016.09.007

upstream raw materials:

4-(4-cyano-2-fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

tert-butyl 4-(2-fluoro-4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate

3,4-Difluorobenzoic acid

methyl 3,4-difluorobenzoate

Downstream raw materials:

1,1-dimethylethyl 4-(4-((Z)-1-aminoethylideneaminooxycarbonyl)-2-fluorophenyl)piperazine-1-carboxylate

4-(2-fluoro-4-((S)-4-methoxycarbonyl-4,5-dihydrooxazol-2-yl)phenyl)piperazine-1-carboxylic acid tert-butyl ester