3-Benzothiazol-2-YL-quinoline

Base Information

• Chemical Name: 3-Benzothiazol-2-YL-quinoline
• CAS No.: 165067-13-0
• Molecular Formula: C₁₆H₁₀N₂S
• Molecular Weight: 262.335
• DSSTox Substance ID: DTXSID90471821
• Nikkaji Number: J1.061.822C
• Wikidata: Q82300486
• Mol file: 165067-13-0.mol

Synonyms:3-BENZOTHIAZOL-2-YL-QUINOLINE;2-quinolin-3-yl-1,3-benzothiazole;165067-13-0;Quinoline,3-(2-benzothiazolyl)-;DTXSID90471821;2-(3-quinolyl)-1,3-benzothiazole

Chemical Property of 3-Benzothiazol-2-YL-quinoline

Chemical Property:

• PSA: 54.02000
• LogP: 4.51150
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.05646950
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=N2)C3=NC4=CC=CC=C4S3

Technology Process of 3-Benzothiazol-2-YL-quinoline

There total 10 articles about 3-Benzothiazol-2-YL-quinoline 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: 65.0%

1,3-Benzothiazole (95-16-9) + 3-bromoquinoline (5332-24-1) → 2-(3-quinolyl)-1,3-benzothiazole (165067-13-0)

Guidance literature:

With o-phenylenebis(diphenylphosphine); palladium diacetate; caesium carbonate; Trimethylacetic acid; In N,N-dimethyl-formamide; at 120 ℃; for 15h;

DOI:10.1021/acs.orglett.6b00300

Reference yield: 60.0%

2,3-dimethylbenzothiazolium iodide (2785-06-0) + 3-methyl-4-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]-3,4-dihydroquinazolinium iodide → 2-(3-quinolyl)-1,3-benzothiazole (165067-13-0)

Guidance literature:

With pyridine; for 5h; Heating;

DOI:10.1007/BF02503494

Reference yield: 55.0%

2,3-dimethylbenzothiazolium iodide (2785-06-0) + 3-isopropylquinazolinium iodide → 2-(3-quinolyl)-1,3-benzothiazole (165067-13-0)

Guidance literature:

With pyridine; for 5h; Heating;

DOI:10.1007/BF02503494

upstream raw materials:

2,3-dimethylbenzothiazol-3-ium

3-N-methylquinazolinium iodide

2,3-dimethylbenzothiazolium iodide

quinazoline