3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one

Base Information

• Chemical Name: 3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one
• CAS No.: 388106-35-2
• Molecular Formula: C₁₄H₁₀FN₃O
• Molecular Weight: 255.251
• DSSTox Substance ID: DTXSID301326903
• ChEMBL ID: CHEMBL1350533
• Mol file: 388106-35-2.mol

Synonyms:3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one;388106-35-2;3-amino-2-(4-fluorophenyl)quinazolin-4-one;Oprea1_792577;3-Amino-2-(4-fluoro-phenyl)-3H-quinazolin-4-one;MLS001194346;SCHEMBL4233293;CHEMBL1350533;LYISEFIMIOLRPY-UHFFFAOYSA-N;DTXSID301326903;HMS2867N24;SMR000555189;3-amino-2-(4-fluorophenyl)-4(3H)-quinazolinone;AH-034/06874059;SR-01000433553;SR-01000433553-1;3-amino-2-(4-fluorophenyl)-3,4-dihydroquinazolin-4-one

Chemical Property of 3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 255.08079011
• Heavy Atom Count: 19
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)F)N

Technology Process of 3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one

There total 6 articles about 3-amino-2-(4-fluorophenyl)quinazolin-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: 98.0%

2-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one (18600-51-6) → 3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one (388106-35-2)

Guidance literature:

2-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one; With hydrazine; In ethanol; at 80 ℃; for 3h;

In N,N-dimethyl-formamide; at 200 ℃; for 0.333333h; microwave irradiation;

Reference yield: 98.0%

2‐(4‐fluorobenzamido)benzohydrazide (35710-17-9) → 3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one (388106-35-2)

Guidance literature:

In N,N-dimethyl-formamide; at 200 ℃; for 0.333333h; Microwave reaction;

Reference yield: 48.0%

2-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one (18600-51-6) → 3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one (388106-35-2) + 2‐(4‐fluorobenzamido)benzohydrazide (35710-17-9)

Guidance literature:

With hydrazine; In ethanol; at 80 ℃; for 3h;

upstream raw materials:

2‐(4‐fluorobenzamido)benzohydrazide

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

2-[(4-fluorobenzoyl)amino]benzoic acid

4-fluorobenzoyl chloride

Downstream raw materials:

3-(4-bromobenzylamino)-2-(4-fluorophenyl)quinazolin-4(3H)-one

4-bromo-N-[2-(4-fluoro-phenyl)-4-oxo-4H-quinazolin-3-yl]-benzamide

3-((4-bromobenzyl)(ethyl)amino)-2-(4-fluorophenyl)quinazolin-4(3H)-one