Methyl 3-Chloro-4-piperazinobenzoate

Base Information

• Chemical Name: Methyl 3-Chloro-4-piperazinobenzoate
• CAS No.: 234082-16-7
• Molecular Formula: C12H15ClN2O2
• Molecular Weight: 254.7127
• Hs Code.: 2933599090
• Mol file: 234082-16-7.mol

Synonyms:Methyl 3-Chloro-4-piperazinobenzoate;methyl 3-chloro-4-(piperazin-1-yl)benzoate

Chemical Property of Methyl 3-Chloro-4-piperazinobenzoate

Chemical Property:

• PSA: 41.57000
• LogP: 1.93000

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-Chloro-4-piperazinobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 3-Chloro-4-piperazinobenzoate

There total 1 articles about Methyl 3-Chloro-4-piperazinobenzoate 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: 61.0%

methyl 3-chloro-4-fluorobenzoate (234082-35-0) + piperazine (110-85-0) → methyl 3-chloro-4-(piperazin-1-yl)benzoate (234082-16-7)

Guidance literature:

In dimethyl sulfoxide; at 80 ℃; for 5h;

DOI:10.1016/j.bmc.2005.10.060

Reference yield:

methyl 3-chloro-4-(piperazin-1-yl)benzoate (234082-16-7) → 3-chloro-4-{4-(pyrimidin-2-yl)piperazin-1-yl}benzoic acid (234082-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / N,N-diisopropylethylamine / dimethylformamide / 4.5 h / 120 °C

2: 92 percent / NaOH / methanol; tetrahydrofuran; H₂O / 5 h / 40 °C

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2005.10.060

Reference yield:

methyl 3-chloro-4-(piperazin-1-yl)benzoate (234082-16-7) → tert-butyl (2S)-benzenesulfonylamino-3-[3-chloro-4-{4-(pyrimidin-2-yl)piperazin-1-yl}benzoylamino]propionate (234081-31-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / N,N-diisopropylethylamine / dimethylformamide / 4.5 h / 120 °C

2: 92 percent / NaOH / methanol; tetrahydrofuran; H₂O / 5 h / 40 °C

3: 90 percent / 1-hydroxybenzotriazole; N-methylmorpholine; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride / dimethylformamide / 24 h / 20 °C

With 4-methyl-morpholine; sodium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2005.10.060

upstream raw materials:

methyl 3-chloro-4-fluorobenzoate

piperazine

Downstream raw materials:

3-chloro-4-{4-(pyrimidin-2-yl)piperazin-1-yl}benzoic acid

tert-butyl (2S)-benzenesulfonylamino-3-[3-chloro-4-{4-(pyrimidin-2-yl)piperazin-1-yl}benzoylamino]propionate