Thiourea, N-(3-chloro-4-(2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4-oxo-3(4H)-quinazolinyl)phenyl)-N'-phenyl-

Base Information

• Chemical Name: Thiourea, N-(3-chloro-4-(2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4-oxo-3(4H)-quinazolinyl)phenyl)-N'-phenyl-
• CAS No.: 83408-67-7
• Molecular Formula: C₃₄H₂₃Cl₂N₅OS
• Molecular Weight: 620.562
• Mol file: 83408-67-7.mol

Synonyms:83408-67-7;BRN 4623059;Thiourea, N-(3-chloro-4-(2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4-oxo-3(4H)-quinazolinyl)phenyl)-N'-phenyl-;C34H23Cl2N5OS;LS-153478

Chemical Property of Thiourea, N-(3-chloro-4-(2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4-oxo-3(4H)-quinazolinyl)phenyl)-N'-phenyl-

Chemical Property:

• Vapor Pressure: 7.96E-24mmHg at 25°C
• Boiling Point: 773.1°C at 760 mmHg
• Flash Point: 421.3°C
• PSA: 110.44000
• Density: 1.34g/cm³
• LogP: 9.21250
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 619.1000369
• Heavy Atom Count: 43
• Complexity: 1020

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: C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)N=CC6=CC=C(C=C6)Cl)Cl

Technology Process of Thiourea, N-(3-chloro-4-(2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4-oxo-3(4H)-quinazolinyl)phenyl)-N'-phenyl-

There total 5 articles about Thiourea, N-(3-chloro-4-(2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4-oxo-3(4H)-quinazolinyl)phenyl)-N'-phenyl- 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: 70.0%

3-(4-Amino-2-chloro-phenyl)-2-(4-{[1-(4-chloro-phenyl)-meth-(E)-ylidene]-amino}-phenyl)-3H-quinazolin-4-one (83408-61-1) + phenyl isothiocyanate (103-72-0) → 1-{3-Chloro-4-[2-(4-{[1-(4-chloro-phenyl)-meth-(E)-ylidene]-amino}-phenyl)-4-oxo-4H-quinazolin-3-yl]-phenyl}-3-phenyl-thiourea (83408-67-7)

Guidance literature:

In benzene; for 4h; Heating;

Reference yield:

N-(p-chlorobenzylidene)-p-aminobenzoic acid (3996-26-7) → 1-{3-Chloro-4-[2-(4-{[1-(4-chloro-phenyl)-meth-(E)-ylidene]-amino}-phenyl)-4-oxo-4H-quinazolin-3-yl]-phenyl}-3-phenyl-thiourea (83408-67-7)

Guidance literature:

Multi-step reaction with 5 steps

1: SOCl₂

2: 75 percent / pyridine / 1 h / 10 °C

3: 67 percent / 0.25 h / Heating

4: 60 percent / N₂H₄*H₂O / Raney nickel / ethanol / 12 h / Heating

5: 70 percent / benzene / 4 h / Heating

With pyridine; thionyl chloride; hydrazine hydrate; nickel; In ethanol; benzene;

Reference yield:

2-(4-{[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-amino}-phenyl)-benzo[d][1,3]oxazin-4-one (83408-46-2) → 1-{3-Chloro-4-[2-(4-{[1-(4-chloro-phenyl)-meth-(E)-ylidene]-amino}-phenyl)-4-oxo-4H-quinazolin-3-yl]-phenyl}-3-phenyl-thiourea (83408-67-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 67 percent / 0.25 h / Heating

2: 60 percent / N₂H₄*H₂O / Raney nickel / ethanol / 12 h / Heating

3: 70 percent / benzene / 4 h / Heating

With hydrazine hydrate; nickel; In ethanol; benzene;

upstream raw materials:

3-(4-Amino-2-chloro-phenyl)-2-(4-{[1-(4-chloro-phenyl)-meth-(E)-ylidene]-amino}-phenyl)-3H-quinazolin-4-one

phenyl isothiocyanate

N-(p-chlorobenzylidene)-p-aminobenzoic acid

2-(4-{[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-amino}-phenyl)-benzo[d][1,3]oxazin-4-one