4-(Cyclohexylcarbonyl)-1-ethyl-6-phenylpiperazinone

Base Information

• Chemical Name: 4-(Cyclohexylcarbonyl)-1-ethyl-6-phenylpiperazinone
• CAS No.: 107235-75-6
• Molecular Formula: C19H26 N2 O2
• Molecular Weight: 314.4219
• DSSTox Substance ID: DTXSID40910270
• Mol file: 107235-75-6.mol

Synonyms:BRN 4537845;4-(Cyclohexylcarbonyl)-1-ethyl-6-phenylpiperazinone;Piperazinone, 4-(cyclohexylcarbonyl)-1-ethyl-6-phenyl-;107235-75-6;4-(cyclohexanecarbonyl)-1-ethyl-6-phenylpiperazin-2-one;DTXSID40910270;LS-113815

Chemical Property of 4-(Cyclohexylcarbonyl)-1-ethyl-6-phenylpiperazinone

Chemical Property:

• Vapor Pressure: 3.42E-11mmHg at 25°C
• Boiling Point: 526.9°C at 760 mmHg
• Flash Point: 238.4°C
• Density: 1.12g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 314.199428076
• Heavy Atom Count: 23
• Complexity: 425

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(CN(CC1=O)C(=O)C2CCCCC2)C3=CC=CC=C3

Technology Process of 4-(Cyclohexylcarbonyl)-1-ethyl-6-phenylpiperazinone

There total 3 articles about 4-(Cyclohexylcarbonyl)-1-ethyl-6-phenylpiperazinone 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: 96.0%

1-Phenyl-N1-ethyl-N2-cyclohexylcarbonylethylendiamine (107235-79-0) + chloroacetyl chloride (79-04-9) → 4-Cyclohexanecarbonyl-1-ethyl-6-phenyl-piperazin-2-one (107235-75-6)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 40 ℃; for 4h;

DOI:10.1007/BF00472293

Reference yield:

N-ethyl-1-phenylethane-1,2-diamine (99167-05-2) → 4-Cyclohexanecarbonyl-1-ethyl-6-phenyl-piperazin-2-one (107235-75-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃ / CH₂Cl₂ / 0.5 h / 20 °C

2: 64 percent / potasium tert-butylate / benzene; 2-methyl-propan-2-ol / 1) 1h 20 deg C, 2) 3h boiling

With potassium tert-butylate; sodium carbonate; In dichloromethane; tert-butyl alcohol; benzene;

DOI:10.1007/BF00542783

Reference yield:

cyclohexanylcarbonyl chloride (2719-27-9) → 4-Cyclohexanecarbonyl-1-ethyl-6-phenyl-piperazin-2-one (107235-75-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃ / CH₂Cl₂ / 0.5 h / 20 °C

2: 64 percent / potasium tert-butylate / benzene; 2-methyl-propan-2-ol / 1) 1h 20 deg C, 2) 3h boiling

With potassium tert-butylate; sodium carbonate; In dichloromethane; tert-butyl alcohol; benzene;

DOI:10.1007/BF00542783

upstream raw materials:

1-Phenyl-N¹-ethyl-N²-cyclohexylcarbonylethylendiamine

chloroacetyl chloride

N-ethyl-1-phenylethane-1,2-diamine

cyclohexanylcarbonyl chloride