4-(Cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one

Base Information

• Chemical Name: 4-(Cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one
• CAS No.: 87693-75-2
• Molecular Formula: C19H26N2O3
• Molecular Weight: 330.427
• DSSTox Substance ID: DTXSID80391589
• Nikkaji Number: J3.554.733I
• Mol file: 87693-75-2.mol

Synonyms:87693-75-2;4-(cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one;Piperazinone, 4-(cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)-;ST048623;SCHEMBL10966952;DTXSID80391589;STK679436;AKOS005595637;J3.554.733I;SR-01000118032;SR-01000118032-1;1-Phenethyl-4-(cyclohexylcarbonyl)-6-hydroxypiperazine-2-one;4-(cyclohexylcarbonyl)-2-hydroxy-6-oxo-1-phenethyl piperazine;Piperazin-2-one, 4-cyclohexanecarbonyl-6-hydroxy-1-phenethyl-;4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one

Chemical Property of 4-(Cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one

Chemical Property:

• PSA: 60.85000
• LogP: 1.67440
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 330.19434270
• Heavy Atom Count: 24
• Complexity: 442

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)N2CC(N(C(=O)C2)CCC3=CC=CC=C3)O

Technology Process of 4-(Cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one

There total 12 articles about 4-(Cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one 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: 73.0%

dihydrated cupric chloride + 4-(cyclohexanecarbonyl)-1-phenethylpiperazine-2,6-dione (87693-74-1) → 4-(cyclohexylcarbonyl)-6-hydroxy-1-phenethylpiperazine-2-one (87693-75-2)

Guidance literature:

In sodium borohydrid; ethanol; dichloromethane; water; acetone;

Reference yield:

N-(2-hydroxyethyl)-N-(2-oxo-2-(phenethylamino)ethyl)cyclohexanecarboxamide → 4-(cyclohexylcarbonyl)-6-hydroxy-1-phenethylpiperazine-2-one (87693-75-2)

Guidance literature:

With sulfur trioxide pyridine complex; triethylamine; In dimethyl sulfoxide; at 15 - 20 ℃; for 7h;

DOI:10.3987/COM-16-13538

Reference yield:

N-(2-hydroxyethyl)-N-(2-oxo-2-(phenethylamino)ethyl)cyclohexanecarboxamide → 2-(N-(2-oxo-2-(phenethylamino)ethyl)cyclohexanecarboxamido)acetic acid + 4-(cyclohexylcarbonyl)-6-hydroxy-1-phenethylpiperazine-2-one (87693-75-2)

Guidance literature:

With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide; In dichloromethane; at 5 ℃; for 14h; pH=8.5 - 9.5;

DOI:10.3987/COM-16-13538

upstream raw materials:

4-(cyclohexanecarbonyl)-1-phenethylpiperazine-2,6-dione

2-phenethyl iodide

Cyclohexanecarboxylic acid bis-cyanomethyl-amide

4-(cyclohexylcarbonyl)-2,6-dioxopiperazine

Downstream raw materials:

2-cyclohexanecarbonyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one

4-(cyclohexylcarbonyl)-3,4-dihydro-1-(2-phenylethyl)-2(1H)-pyrazinone