2-Piperazinecarboxylicacid,1,1-dimethylethylester(9CI)

Base Information

• Chemical Name: 2-Piperazinecarboxylicacid,1,1-dimethylethylester(9CI)
• CAS No.: 146398-94-9
• Molecular Formula: C₉H₁₈N₂O₂
• Molecular Weight: 186.254
• Hs Code.: 2933990090
• Mol file: 146398-94-9.mol

Synonyms:2-Piperazinecarboxylicacid, 1,1-dimethylethyl ester, (?à)-; tert-Butyl 2-piperazinecarboxylate

Chemical Property of 2-Piperazinecarboxylicacid,1,1-dimethylethylester(9CI)

Chemical Property:

• Vapor Pressure: 0.0141mmHg at 25°C
• Melting Point: 47-49℃
• Boiling Point: 263℃
• PKA: 8.05±0.40(Predicted)
• Flash Point: 113℃
• PSA: 50.36000
• Density: 1.002
• LogP: 0.54710
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butylpiperazine-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:

MSDS Files:

Useful:

• Uses: tert-Butyl piperazine-2-carboxylate is used as a reactant in the preparation of (±)?-?2-?carboxy-?4-?(3-?phosphonopropyl)?piperazine (CPP).

Technology Process of 2-Piperazinecarboxylicacid,1,1-dimethylethylester(9CI)

There total 2 articles about 2-Piperazinecarboxylicacid,1,1-dimethylethylester(9CI) 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: 85.0%

(+/-)-tert-Butyl 1,4-dibenzylpiperazine-2-carboxylate (146398-93-8) → (+/-)-tert-Butyl piperazine-2-carboxylate (146398-94-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr; Ambient temperature;

DOI:10.1055/s-1992-26301

Reference yield:

tert-butyl 2,3-dibromopropionate (138034-79-4,49855-41-6) → (+/-)-tert-Butyl piperazine-2-carboxylate (146398-94-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / Et₃N / benzene / 3 h / 80 °C

2: 85 percent / H₂ / 5percent Pd/C / ethanol / 760 Torr / Ambient temperature

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol; benzene;

DOI:10.1055/s-1992-26301

Reference yield:

(+/-)-tert-Butyl piperazine-2-carboxylate (146398-94-9) → 4-(3-phosphonopropyl)-2-piperazinecarboxylic acid (100828-16-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / Et₃N / benzene / 5 h / Heating

2: 78 percent / Me₃SiBr / CHCl₃ / 18 h

With trimethylsilyl bromide; triethylamine; In chloroform; benzene;

DOI:10.1055/s-1992-26301

upstream raw materials:

(+/-)-tert-Butyl 1,4-dibenzylpiperazine-2-carboxylate

tert-butyl 2,3-dibromopropionate

Downstream raw materials:

4-(3-phosphonopropyl)-2-piperazinecarboxylic acid

Refernces