Benzoic acid, 4-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-

Base Information

• Chemical Name: Benzoic acid, 4-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-
• CAS No.: 37856-24-9
• Molecular Formula: C21H14N2O3
• Molecular Weight: 342.354
• DSSTox Substance ID: DTXSID70357856
• Nikkaji Number: J1.426.783B
• Wikidata: Q82138027
• Mol file: 37856-24-9.mol

Synonyms:37856-24-9;Benzoic acid, 4-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-;Cambridge id 5772070;Oprea1_803191;DTXSID70357856;AB00096414-01;SR-01000219511;SR-01000219511-1;4-(4-oxo-2-phenylquinazoline-3(4h)-yl)benzoic acid

Chemical Property of Benzoic acid, 4-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 342.10044231
• Heavy Atom Count: 26
• Complexity: 574

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Technology Process of Benzoic acid, 4-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-

There total 5 articles about Benzoic acid, 4-(4-oxo-2-phenyl-3(4H)-quinazolinyl)- 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: 88.0%

2-phenyl-4H-3,1-benzoxazin-4-one (1022-46-4) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(4-oxo-2-phenylquinazolin-3(4H)-yl)benzoic acid (37856-24-9)

Guidance literature:

With pyridine; for 6h; Reflux;

DOI:10.3390/molecules25204780

Reference yield:

benzoyl chloride (98-88-4) → 4-(4-oxo-2-phenylquinazolin-3(4H)-yl)benzoic acid (37856-24-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 0.5 h / 0 - 20 °C

2: pyridine / 7 h / Reflux

With pyridine;

DOI:10.1007/s00044-011-9632-2

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 4-(4-oxo-2-phenylquinazolin-3(4H)-yl)benzoic acid (37856-24-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 0.5 h

2: pyridine / 6 h / Heating

With pyridine;

DOI:10.1007/s00044-012-0169-9

upstream raw materials:

2-phenyl-4H-3,1-benzoxazin-4-one

4-amino-benzoic acid

orthobenzoic acid trimethyl ester

2-nitrobenzyl chloride

Downstream raw materials:

4-(4-oxo-2-phenyl-4H-quinazolin-3-yl)-benzoyl chloride

3-(1-oxo-3,4-diphenyl-1H-isochromen-6-yl)-2-phenyl-3H-quinazolin-4-one

2-(2-chloro-5-nitrophenyl)-3-[4-(4-oxo-2-phenylquinazolin-3(4H)-yl)benzoyl]-1,3,4-thiadiazolium-5-thiolate

2-(4-chloro-3-nitrophenyl)-3-[4-(4-oxo-2-phenylquinazolin-3(4H)-yl)benzoyl]-1,3,4-thiadiazolium-5-thiolate