1-Piperazinecarboxylic acid, 4-cyclohexyl-, ethyl ester

Base Information

• Chemical Name: 1-Piperazinecarboxylic acid, 4-cyclohexyl-, ethyl ester
• CAS No.: 89011-67-6
• Molecular Formula: C13H24N2O2
• Molecular Weight: 240.346
• DSSTox Substance ID: DTXSID90408536
• Wikidata: Q82214042
• Mol file: 89011-67-6.mol

Synonyms:1-Piperazinecarboxylic acid, 4-cyclohexyl-, ethyl ester;89011-67-6;DTXSID90408536

Chemical Property of 1-Piperazinecarboxylic acid, 4-cyclohexyl-, ethyl ester

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.183778013
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCN(CC1)C2CCCCC2

Technology Process of 1-Piperazinecarboxylic acid, 4-cyclohexyl-, ethyl ester

There total 2 articles about 1-Piperazinecarboxylic acid, 4-cyclohexyl-, ethyl 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: 5.0%

bis(2-chloroethyl)carbamic acid ether (5467-15-2) + cyclohexylamine (108-91-8,157973-60-9) → 1-Cyclohexyl-4-ethoxycarbonylpiperazine (89011-67-6) + 1-Cyclohexyl-4-(cyclohexylaminocarbonyl)piperazine (89011-68-7) + 1,3-Dicyclohexylurea (2387-23-7)

Guidance literature:

With potassium carbonate; sodium iodide; In butan-1-ol; 1)Reflux 8 h without K₂CO₃ 2) 24 h with K₂CO₃;

DOI:10.1135/cccc19832977

Reference yield:

4-ethoxycarbonylpiperazine (120-43-4) → 1-Cyclohexyl-4-ethoxycarbonylpiperazine (89011-67-6)

Guidance literature:

DOI:10.1248/cpb.55.1682

Reference yield:

1-Cyclohexyl-4-ethoxycarbonylpiperazine (89011-67-6) → 1-cyclo-hexylpiperazine, dihydrobromide

Guidance literature:

With hydrogen bromide;

DOI:10.1248/cpb.55.1682

upstream raw materials:

bis(2-chloroethyl)carbamic acid ether

cyclohexylamine

4-ethoxycarbonylpiperazine