Tert-butyl 4-carbamoylpiperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-carbamoylpiperazine-1-carboxylate
• CAS No.: 883554-88-9
• Molecular Formula: C₁₀H₁₉N₃O₃
• Molecular Weight: 229.279
• European Community (EC) Number: 823-843-3
• ChEMBL ID: CHEMBL4576080
• DSSTox Substance ID: DTXSID60590452
• Wikidata: Q82484146
• Mol file: 883554-88-9.mol

Synonyms:883554-88-9;tert-butyl 4-carbamoylpiperazine-1-carboxylate;tert-butyl 4-(aminocarbonyl)piperazine-1-carboxylate;1-Boc-4-carbamoyl-piperazine;4-Carbamoyl-piperazine-1-carboxylic acid tert-butyl ester;MFCD06796406;4-carbamoyl-piperazine-1-carboxylic acidtert-butyl ester;SCHEMBL8662177;CHEMBL4576080;DTXSID60590452;BQAKNTNUYDSUSK-UHFFFAOYSA-N;AB6588;AKOS015996766;FS-5204;DB-173953;CS-0154466;EN300-40506;4-Carbamoyl-piperazine-1-carboxylicacidtert-butylester;F2199-0273;Z219733386

Chemical Property of Tert-butyl 4-carbamoylpiperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 5.95E-05mmHg at 25°C
• Boiling Point: 346.0±52.0 °C(Predicted)
• PKA: 14.67±0.20(Predicted)
• Density: 1.180±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.14264148
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-carbamoylpiperazine-1-carboxylate ^*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)N

Technology Process of Tert-butyl 4-carbamoylpiperazine-1-carboxylate

There total 4 articles about Tert-butyl 4-carbamoylpiperazine-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: 53.0%

potassium cyanide + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-carbamoylpiperazine-1-carboxylate (883554-88-9)

Guidance literature:

With water; acetic acid; at 20 ℃; for 4h;

Reference yield: 46.0%

acetic acid (64-19-7,77671-22-8) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-carbamoylpiperazine-1-carboxylate (883554-88-9)

Guidance literature:

With potassium cyanate; In water; at 20 ℃; for 4h;

Reference yield: 40.0%

trimethylsilyl isocyanate (1118-02-1) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-carbamoylpiperazine-1-carboxylate (883554-88-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 1.5h; Inert atmosphere;

upstream raw materials:

potassium cyanate

1-t-Butoxycarbonylpiperazine

trimethylsilyl isocyanate

acetic acid

Downstream raw materials:

4-Amino-piperazine-1-carboxylic acid tert-butyl ester

piperazine-1-carboxamide hydrochloride