Piperazinone, 4-(4-nitrobenzoyl)-1-(phenylmethyl)-

Base Information

• Chemical Name: Piperazinone, 4-(4-nitrobenzoyl)-1-(phenylmethyl)-
• CAS No.: 107235-70-1
• Molecular Formula: C18H17 N3 O4
• Molecular Weight: 339.3453
• DSSTox Substance ID: DTXSID10147975
• Wikidata: Q83013411
• Mol file: 107235-70-1.mol

Synonyms:BRN 4568382;Piperazinone, 4-(4-nitrobenzoyl)-1-(phenylmethyl)-;4-(4-Nitrobenzoyl)-1-(phenylmethyl)piperazinone;107235-70-1;DTXSID10147975;LS-113838

Chemical Property of Piperazinone, 4-(4-nitrobenzoyl)-1-(phenylmethyl)-

Chemical Property:

• Vapor Pressure: 1.07E-14mmHg at 25°C
• Boiling Point: 607.4 °C at 760 mmHg
• Flash Point: 321.1 °C
• Density: 1.345 g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 339.12190603
• Heavy Atom Count: 25
• Complexity: 505

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)CN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Technology Process of Piperazinone, 4-(4-nitrobenzoyl)-1-(phenylmethyl)-

There total 4 articles about Piperazinone, 4-(4-nitrobenzoyl)-1-(phenylmethyl)- 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: 87.0%

1-(Phenylmethyl)piperazinone hydrochloride (78551-58-3) + 4-nitro-benzoyl chloride (122-04-3) → 4-(4-Nitrobenzoyl)-1-benzyl-2-piperazinone (107235-70-1)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 1h;

DOI:10.1007/BF00542783

Reference yield:

N-Benzyl-N,N'-bis(chloroacetyl)ethylendiamine (107235-77-8) → 4-(4-Nitrobenzoyl)-1-benzyl-2-piperazinone (107235-70-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 35 percent / potassium tert-butylate / 2-methyl-propan-2-ol / 0.33 h / Ambient temperature

2: 60 percent / o-phenylendiamine / aq. ethanol / 2 h / Heating

3: 87 percent / triethylamine / CHCl₃ / 1 h / 20 °C

With potassium tert-butylate; triethylamine; 1,2-diamino-benzene; In ethanol; chloroform; tert-butyl alcohol;

DOI:10.1007/BF00542783

Reference yield:

1-Benzyl-4-chloroacetyl-2-piperazinone (107235-76-7) → 4-(4-Nitrobenzoyl)-1-benzyl-2-piperazinone (107235-70-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / o-phenylendiamine / aq. ethanol / 2 h / Heating

2: 87 percent / triethylamine / CHCl₃ / 1 h / 20 °C

With triethylamine; 1,2-diamino-benzene; In ethanol; chloroform;

DOI:10.1007/BF00542783

upstream raw materials:

1-(Phenylmethyl)piperazinone hydrochloride

4-nitro-benzoyl chloride

N-Benzyl-N,N'-bis(chloroacetyl)ethylendiamine

1-Benzyl-4-chloroacetyl-2-piperazinone

Refernces