Piperazine, 1-(4-methylphenyl)-4-(1-oxo-2-(4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl)propyl)-

Base Information

• Chemical Name: Piperazine, 1-(4-methylphenyl)-4-(1-oxo-2-(4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl)propyl)-
• CAS No.: 83409-18-1
• Molecular Formula: C₃₁H₃₄N₄O₅
• Molecular Weight: 542.635
• DSSTox Substance ID: DTXSID701003414
• Mol file: 83409-18-1.mol

Synonyms:BRN 4621429;83409-18-1;Piperazine, 1-(4-methylphenyl)-4-(1-oxo-2-(4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl)propyl)-;C31H34N4O5;DTXSID701003414;C31-H34-N4-O5;LS-112919;3-{1-[4-(4-Methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4(3H)-one

Chemical Property of Piperazine, 1-(4-methylphenyl)-4-(1-oxo-2-(4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl)propyl)-

Chemical Property:

• Vapor Pressure: 1.09E-21mmHg at 25°C
• Boiling Point: 738.8°Cat760mmHg
• Flash Point: 400.6°C
• Density: 1.24g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 542.25292020
• Heavy Atom Count: 40
• Complexity: 899

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(C)N3C(=NC4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC

Technology Process of Piperazine, 1-(4-methylphenyl)-4-(1-oxo-2-(4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl)propyl)-

There total 4 articles about Piperazine, 1-(4-methylphenyl)-4-(1-oxo-2-(4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl)propyl)- 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: 65.0%

(4-methylphenyl)piperazine (39593-08-3) + 2-[4-Oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-propionyl chloride (83409-27-2) → 3-[1-Methyl-2-oxo-2-(4-p-tolyl-piperazin-1-yl)-ethyl]-2-(3,4,5-trimethoxy-phenyl)-3H-quinazolin-4-one (83409-18-1)

Guidance literature:

In benzene; for 2h; Heating;

Reference yield:

2-(3,4,5-trimethoxyphenyl)-4-H-benzo[d][1,3]oxazin-4-one (40728-74-3) → 3-[1-Methyl-2-oxo-2-(4-p-tolyl-piperazin-1-yl)-ethyl]-2-(3,4,5-trimethoxy-phenyl)-3H-quinazolin-4-one (83409-18-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / pyridine; H₂O / 10 h / Heating

2: SOCl₂ / benzene / 6 h / Heating

3: 65 percent / benzene / 2 h / Heating

With thionyl chloride; In pyridine; water; benzene;

Reference yield:

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → 3-[1-Methyl-2-oxo-2-(4-p-tolyl-piperazin-1-yl)-ethyl]-2-(3,4,5-trimethoxy-phenyl)-3H-quinazolin-4-one (83409-18-1)

Guidance literature:

Multi-step reaction with 4 steps

1: pyridine / 1) 0-5 deg C 2) 1h, room temperature

2: 75 percent / pyridine; H₂O / 10 h / Heating

3: SOCl₂ / benzene / 6 h / Heating

4: 65 percent / benzene / 2 h / Heating

With pyridine; thionyl chloride; In pyridine; water; benzene;

upstream raw materials:

(4-methylphenyl)piperazine

2-[4-Oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-propionyl chloride

2-(3,4,5-trimethoxyphenyl)-4-H-benzo[d][1,3]oxazin-4-one

3,4,5-Trimethoxybenzoyl chloride