3-(((2-Chlorophenyl)((4-chlorophenyl)azo)methylene)amino)-2-ethyl-4(3H)-quinazolinone

Base Information

• Chemical Name: 3-(((2-Chlorophenyl)((4-chlorophenyl)azo)methylene)amino)-2-ethyl-4(3H)-quinazolinone
• CAS No.: 110605-11-3
• Molecular Formula: C₂₃H₁₇Cl₂N₅O
• Molecular Weight: 450.327
• NSC Number: 622360
• ChEMBL ID: CHEMBL1979897
• Mol file: 110605-11-3.mol

Synonyms:BRN 5164299;3-(((2-Chlorophenyl)((4-chlorophenyl)azo)methylene)amino)-2-ethyl-4(3H)-quinazolinone;4(3H)-Quinazolinone, 3-(((2-chlorophenyl)((4-chlorophenyl)azo)methylene)amino)-2-ethyl-;110605-11-3;NSC622360;C23H17Cl2N5O;CHEMBL1979897;C23-H17-Cl2-N5-O;NSC-622360;LS-140549

Chemical Property of 3-(((2-Chlorophenyl)((4-chlorophenyl)azo)methylene)amino)-2-ethyl-4(3H)-quinazolinone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 599.5°Cat760mmHg
• Flash Point: 316.4°C
• PSA: 71.97000
• Density: 1.35g/cm³
• LogP: 6.25950
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 449.0810156
• Heavy Atom Count: 31
• Complexity: 732

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC=C(C=C4)Cl
• Isomeric SMILES: CCC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3Cl)\N=NC4=CC=C(C=C4)Cl

Technology Process of 3-(((2-Chlorophenyl)((4-chlorophenyl)azo)methylene)amino)-2-ethyl-4(3H)-quinazolinone

There total 3 articles about 3-(((2-Chlorophenyl)((4-chlorophenyl)azo)methylene)amino)-2-ethyl-4(3H)-quinazolinone 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:

2-chloro-benzaldehyde (89-98-5) → C23H17Cl2N5O (110605-11-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / gl. acetic acid / ethanol / 5 h / Heating

2: 1) aq. NaNO₂, gl. acetic acid, HCl / 1) 0-5 deg C, 2) pyridine, r.t., overnight

With hydrogenchloride; acetic acid; sodium nitrite; In ethanol;

Reference yield:

3-amino-2-ethylquinazoline-4(3H)-one (50547-51-8) → C23H17Cl2N5O (110605-11-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / gl. acetic acid / ethanol / 5 h / Heating

2: 1) aq. NaNO₂, gl. acetic acid, HCl / 1) 0-5 deg C, 2) pyridine, r.t., overnight

With hydrogenchloride; acetic acid; sodium nitrite; In ethanol;

Reference yield:

4-chloro-aniline (106-47-8) + 3-(2-chlorobenzalamino)-2-ethyl-4(3H)-quinazolinone (112447-53-7) → C23H17Cl2N5O (110605-11-3)

Guidance literature:

With hydrogenchloride; acetic acid; sodium nitrite; Yield given. Multistep reaction; 1) 0-5 deg C, 2) pyridine, r.t., overnight;

upstream raw materials:

4-chloro-aniline

3-(2-chlorobenzalamino)-2-ethyl-4(3H)-quinazolinone

2-chloro-benzaldehyde

3-amino-2-ethylquinazoline-4(3H)-one