Tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate
• CAS No.: 350684-49-0
• Molecular Formula: C16H23N3O3
• Molecular Weight: 305.377
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00376914
• Wikidata: Q82165840
• Mol file: 350684-49-0.mol

Synonyms:350684-49-0;tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate;tert-butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate;butylaminobenzoyltetrahydropyrazinecarboxylate;SCHEMBL110336;tert-Butyl4-(4-aminobenzoyl)piperazine-1-carboxylate;DTXSID00376914;PCJKGZGOTDJFBX-UHFFFAOYSA-N;AB3285;MFCD06659531;AKOS002683255;CS-0060941;FT-0679976;A874792;10Y-0700;J-019853;J-524621;tert-butyl 4-(4-amino-benzoyl)piperazine-1-carboxylate;2-Methyl-2-propanyl 4-(4-aminobenzoyl)-1-piperazinecarboxylate;4-(4-amino-benzoyl)-piperazine-1-carboxylic acid tert-butyl ester;tert-Butyl4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate;tert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate, AldrichCPR

Chemical Property of Tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate

Chemical Property:

• Melting Point: 159-160oC
• Boiling Point: 488.1±40.0 °C(Predicted)
• PKA: 3.50±0.10(Predicted)
• PSA: 75.87000
• Density: 1?+-.0.06 g/cm3(Predicted)
• LogP: 2.41870
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 305.17394160
• Heavy Atom Count: 22
• Complexity: 403

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N

Technology Process of Tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate

There total 7 articles about Tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate 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-(4-nitrobenzoyl)piperazine- 1-carboxylate (509073-62-5) → 4-(4-aminobenzoyl)piperazine-1-carboxylic acid tert-butyl ester (350684-49-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 18h; under 760.051 Torr;

Reference yield: 93.0%

→ 4-(4-aminobenzoyl)piperazine-1-carboxylic acid tert-butyl ester (350684-49-0)

Guidance literature:

With water; iron; ammonium chloride; In ethanol; for 2h; Reflux;

Reference yield: 87.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-aminobenzoyl)piperazine-1-carboxylic acid tert-butyl ester (350684-49-0)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; butan-1-ol; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 22h;

upstream raw materials:

4-amino-benzoic acid

1-t-Butoxycarbonylpiperazine

tert-butyl 4-(4-nitrobenzoyl)piperazine- 1-carboxylate

4-nitro-benzoic acid

Refernces

• 1、 -. "CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS". Page/Page column 172; 207. . Retrieved 2021/11/26.
• 2、 -. "SMALL MOLECULE PROTEOLYSIS-TARGETING CHIMERAS AND METHODS OF USE THEREOF". Page/Page column 66; 67-68. . Retrieved 2020/12/30.