2-(2-Methyl-4-oxoquinazolin-3(4h)-yl)benzoic acid

Base Information

• Chemical Name: 2-(2-Methyl-4-oxoquinazolin-3(4h)-yl)benzoic acid
• CAS No.: 4005-06-5
• Molecular Formula: C16H12N2O3
• Molecular Weight: 280.283
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50274592
• Wikidata: Q82003980
• Mol file: 4005-06-5.mol

Synonyms:4005-06-5;2-(2-methyl-4-oxoquinazolin-3(4h)-yl)benzoic acid;2-(2-methyl-4-oxo-4 h-quinazolin-3-yl)-benzoic acid;2-(2-methyl-4-oxoquinazolin-3-yl)benzoic acid;2-(2-Methyl-4-oxo-3(4H)-quinazolinyl)benzoic acid;DTXSID50274592;MFCD02197929;AKOS003593717;BS-37790;2-(2-Methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid;2-(2-Methyl-4-oxo-4 H -quinazolin-3-yl)-benzoic acid;2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzoic acid;2-(2-Methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid, AldrichCPR

Chemical Property of 2-(2-Methyl-4-oxoquinazolin-3(4h)-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.29E-10mmHg at 25°C
• Boiling Point: 495oC at 760 mmHg
• Flash Point: 253.2oC
• PSA: 72.19000
• Density: 1.32g/cm3
• LogP: 2.39230
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 280.08479225
• Heavy Atom Count: 21
• Complexity: 474

Purity/Quality:

95% ^*data from raw suppliers

2-(2-Methyl-4-oxoquinazolin-3(4H)-yl)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(=O)O

Technology Process of 2-(2-Methyl-4-oxoquinazolin-3(4h)-yl)benzoic acid

There total 11 articles about 2-(2-Methyl-4-oxoquinazolin-3(4h)-yl)benzoic acid 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: 84.0%

2-methyl-1H-indole-3-carbaldehyde (5416-80-8) → 2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid (4005-06-5)

Guidance literature:

With Oxone; In water; acetonitrile; at 60 ℃; for 16h;

DOI:10.1016/j.tetlet.2013.09.124

Reference yield: 75.5%

2-methyl-4-oxo-3,1-benzoxazine (525-76-8) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid (4005-06-5)

Guidance literature:

Heating;

Reference yield:

o-acetylamino-benzoic acid (89-52-1) → 2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid (4005-06-5)

Guidance literature:

beim Erhitzen unter vermindertem Druck;

upstream raw materials:

2-(2-methyl-4-oxo-4H-quinazoline-3-yl)benzoic acid methyl ester

o-acetylamino-benzoic acid

2-methyl-4-oxo-3,1-benzoxazine

anthranilic acid

Downstream raw materials:

(E)-2-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid

(E)-2-(2-(3-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid

2-(2-formyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid

6-[(3-Nitro-phenylamino)-methyl]-6H-7,12a-diaza-benzo[a]anthracene-5,12-dione

Refernces

• 1、 Qian, Yuanyuan,Allegretta, Giuseppe,Janardhanan, Jeshina,Peng, Zhihong,Mahasenan, Kiran V.,Lastochkin, Elena,Gozun, Melissa Malia N.,Tejera, Sara,Schroeder, Valerie A.,Wolter, William R.,Feltzer, Rhona,Mobashery, Shahriar,Chang, Mayland. "Exploration of the Structural Space in 4(3 H)-Quinazolinone Antibacterials". supporting information. p. 5287 - 5296. Retrieved 2020/06/10.
• 2、 Gatadi, Srikanth,Gour, Jitendra,Shukla, Manjulika,Kaul, Grace,das, Swetarka,Dasgupta, Arunava,Madhavi,Chopra, Sidharth,Nanduri, Srinivas. "Synthesis and evaluation of new 4-oxoquinazolin-3(4H)-yl)benzoic acid and benzamide derivatives as potent antibacterial agents effective against multidrug resistant Staphylococcus aureus". . p. 569 - 579. Retrieved 2018/11/25.