1-Piperazinecarboxylic acid, 4-(1,3-dioxobutyl)-, 1,1-diMethylethyl ester

Base Information

• Chemical Name: 1-Piperazinecarboxylic acid, 4-(1,3-dioxobutyl)-, 1,1-diMethylethyl ester
• CAS No.: 401566-77-6
• Molecular Formula: C13H22N2O4
• Molecular Weight: 270.329
• Mol file: 401566-77-6.mol

Synonyms:1-Piperazinecarboxylic acid, 4-(1,3-dioxobutyl)-, 1,1-diMethylethyl ester;tert-Butyl 4-(3-oxobutanoyl)piperazine-1-carboxylate

Chemical Property of 1-Piperazinecarboxylic acid, 4-(1,3-dioxobutyl)-, 1,1-diMethylethyl ester

Chemical Property:

• Boiling Point: 411.3±40.0 °C(Predicted)
• PKA: 13.69±0.20(Predicted)
• PSA: 66.92000
• Density: 1.139±0.06 g/cm3(Predicted)
• LogP: 0.92060

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-(3-oxobutanoyl)piperazine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Piperazinecarboxylic acid, 4-(1,3-dioxobutyl)-, 1,1-diMethylethyl ester

There total 3 articles about 1-Piperazinecarboxylic acid, 4-(1,3-dioxobutyl)-, 1,1-diMethylethyl 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: 86.0%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(3-oxobutanoyl)piperazine-1-carboxylate (401566-77-6)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

DOI:10.1016/j.bmc.2012.08.012

Reference yield: 72.0%

tert-butyl acetoacetate (1694-31-1) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(3-oxobutanoyl)piperazine-1-carboxylate (401566-77-6)

Guidance literature:

In toluene; at 100 ℃; for 18h;

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(3-oxobutanoyl)piperazine-1-carboxylate (401566-77-6)

Guidance literature:

In water; N,N-dimethyl-formamide;

upstream raw materials:

4-methyleneoxetan-2-one

1-t-Butoxycarbonylpiperazine

tert-butyl acetoacetate

Downstream raw materials:

1-tert-butoxycarbonyl-4-[1-(4-fluorophenyl)-3-methyl-5-pyrazolyl]piperazine

1-tert-butoxycarbonyl-4-[1-(2-fluorophenyl)-3-methyl-5-pyrazolyl]piperazine

4-[2-acetyl-3-(2,4-dimethylphenyl)-2-propenoyl]-1-piperazinecarboxylic acid t-butyl ester

4-[2-acetyl-3-(3,5-dichlorophenyl)-2-propenoyl] piperazine-1-carboxylic acid-t-butyl ester

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