12H-Benzothiazolo(2,3-b)quinazoline-2-carboxylic acid, 12-oxo-

Base Information

• Chemical Name: 12H-Benzothiazolo(2,3-b)quinazoline-2-carboxylic acid, 12-oxo-
• CAS No.: 83350-94-1
• Molecular Formula: C₁₅H₈N₂O₃S
• Molecular Weight: 296.306
• DSSTox Substance ID: DTXSID70232275
• Wikidata: Q83113310
• Mol file: 83350-94-1.mol

Synonyms:BRN 5587057;83350-94-1;12H-Benzothiazolo(2,3-b)quinazoline-2-carboxylic acid, 12-oxo-;12-Oxo-12H-benzothiazolo(2,3-b)quinazoline-2-carboxylic acid;C15H8N2O3S;DTXSID70232275;C15-H8-N2-O3-S;LS-40959

Chemical Property of 12H-Benzothiazolo(2,3-b)quinazoline-2-carboxylic acid, 12-oxo-

Chemical Property:

• Vapor Pressure: 1.59E-15mmHg at 25°C
• Boiling Point: 605.8°C at 760 mmHg
• Flash Point: 320.2°C
• Density: 1.62g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 296.02556330
• Heavy Atom Count: 21
• Complexity: 521

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N3C(=O)C4=C(C=CC(=C4)C(=O)O)N=C3S2

Technology Process of 12H-Benzothiazolo(2,3-b)quinazoline-2-carboxylic acid, 12-oxo-

There total 4 articles about 12H-Benzothiazolo(2,3-b)quinazoline-2-carboxylic acid, 12-oxo- 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: 70.0%

2-cyano-12-oxo-12H-benzothiazolo<2,3-b>quinazoline (83350-93-0) → 12-oxo-12H-benzothiazolo<2,3-b>quinazoline-2-carboxylic acid (83350-94-1)

Guidance literature:

With sulfuric acid; In acetic acid; for 1.5h; Heating;

DOI:10.1021/jm00355a022

Reference yield:

2-bromo-12-oxo-12H-benzothiazolo<2,3-b>quinazoline (37752-72-0) → 12-oxo-12H-benzothiazolo<2,3-b>quinazoline-2-carboxylic acid (83350-94-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 20 h / Heating

2: 70 percent / 50percent H₂SO₄ / acetic acid / 1.5 h / Heating

With sulfuric acid; In acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00355a022

Reference yield:

2-chlorobenzo[d][1,3]thiazole (615-20-3) → 12-oxo-12H-benzothiazolo<2,3-b>quinazoline-2-carboxylic acid (83350-94-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / KI / various solvent(s) / 4.5 h / 150 °C

2: dimethylformamide / 20 h / Heating

3: 70 percent / 50percent H₂SO₄ / acetic acid / 1.5 h / Heating

With sulfuric acid; potassium iodide; In acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00355a022

upstream raw materials:

2-cyano-12-oxo-12H-benzothiazolo<2,3-b>quinazoline

2-bromo-12-oxo-12H-benzothiazolo<2,3-b>quinazoline

2-chlorobenzo[d][1,3]thiazole

5-Bromo-2-aminobenzoic acid