3-{[(E)-(2-chlorophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one

Base Information

• Chemical Name: 3-{[(E)-(2-chlorophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
• CAS No.: 112447-50-4
• Molecular Formula: C₁₆H₁₂ClN₃O
• Molecular Weight: 297.744
• NSC Number: 332674
• DSSTox Substance ID: DTXSID601324475
• ChEMBL ID: CHEMBL3209083

Synonyms:NSC332674;MLS001173307;CHEMBL3209083;DTXSID601324475;STK793053;AKOS001036723;NSC-332674;112447-50-4;SMR000539122;SR-01000236380;SR-01000236380-1;Z49732095;3-[(E)-(2-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one;3-{[(E)-(2-chlorophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one

Chemical Property of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 297.0668897
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=C3Cl
• Isomeric SMILES: CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=CC=C3Cl

Technology Process of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one

There total 1 articles about 3-{[(E)-(2-chlorophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one 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: 75.0%

3-amino-2-methyl-4-oxoquinazoline (1898-06-2) + 2-chloro-benzaldehyde (89-98-5) → 3-(2-chlorobenzalamino)-2-methyl-4(3H)-quinazolinone (112447-50-4)

Guidance literature:

With acetic acid; In ethanol; for 5h; Heating;

Reference yield: 70.0%

3-(2-chlorobenzalamino)-2-methyl-4(3H)-quinazolinone (112447-50-4) + chloroacetyl chloride (79-04-9) → 3-[3-Chloro-2-(2-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-methyl-3H-quinazolin-4-one

Guidance literature:

With triethylamine; In 1,4-dioxane; 1.) room temp., 3h, 2.) reflux 8h;

Reference yield: 68.0%

mercaptoacetic acid (68-11-1) + 3-(2-chlorobenzalamino)-2-methyl-4(3H)-quinazolinone (112447-50-4) → 3-[2-(2-chlorophenyl)-4-oxothiazolidin-3-yl]-2-methylquinazolin-4(3H)-one

Guidance literature:

With zinc(II) chloride; In N,N-dimethyl-formamide; for 8h; Heating;

upstream raw materials:

3-amino-2-methyl-4-oxoquinazoline

2-chloro-benzaldehyde

Downstream raw materials:

C₂₂H₁₅Cl₂N₅O

C₂₂H₁₆ClN₅O

C₂₃H₁₈ClN₅O

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