Benzothiazole, 2-pyrazinyl- (9CI)

Base Information

• Chemical Name: Benzothiazole, 2-pyrazinyl- (9CI)
• CAS No.: 133593-36-9
• Molecular Formula: C11H7N3S
• Molecular Weight: 213.25838
• Mol file: 133593-36-9.mol

Synonyms:Benzothiazole, 2-pyrazinyl- (9CI)

Chemical Property of Benzothiazole, 2-pyrazinyl- (9CI)

Chemical Property:

• Melting Point: 170-172 °C(Solv: ethanol (64-17-5))
• Boiling Point: 396.7±52.0 °C(Predicted)
• PKA: -0.70±0.10(Predicted)
• PSA: 66.91000
• Density: 1.349±0.06 g/cm3(Predicted)
• LogP: 2.75330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzothiazole, 2-pyrazinyl- (9CI)

There total 6 articles about Benzothiazole, 2-pyrazinyl- (9CI) 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: 82.0%

2-pyrazylcarboxylic acid (98-97-5) + 2-amino-benzenethiol (137-07-5) → 2-(pyrazin-2-yl)benzo[d]thiazole (133593-36-9)

Guidance literature:

With triphenyl phosphite; tetrabutylammomium bromide; at 120 ℃; for 0.25h;

DOI:10.1016/j.jphotochem.2021.113573

Reference yield: 67.0%

2,3-pyrazinedicarboxylic anhydride (4744-50-7) + 2-amino-benzenethiol (137-07-5) → 2-(pyrazin-2-yl)benzo[d]thiazole (133593-36-9)

Guidance literature:

With sodium acetate; acetic acid; for 4h; Heating; other substrates;

DOI:10.1002/ardp.19913240311

Reference yield: 65.0%

1,3-Benzothiazole (95-16-9) + 2-iodopyrazine (32111-21-0) → 2-(pyrazin-2-yl)benzo[d]thiazole (133593-36-9)

Guidance literature:

With copper(l) iodide; C₁₅H₁₈ClN₃OPd; potassium carbonate; In dimethyl sulfoxide; toluene; acetonitrile; at 130 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c7nj00452d

upstream raw materials:

2,3-pyrazinedicarboxylic anhydride

2-amino-benzenethiol

2-Methylpyrazine

2-Chloronitrobenzene

Refernces

• 1、 Seliem, Israa A.,Girgis, Adel S.,Moatasim, Yassmin,Kandeil, Ahmed,Mostafa, Ahmed,Ali, Mohamed A.,Bekheit, Mohamed S.,Panda, Siva S.. "New Pyrazine Conjugates: Synthesis, Computational Studies, and Antiviral Properties against SARS-CoV-2". . p. 3418 - 3427. Retrieved 2021/09/08.
• 2、 Pandiri, Hanumanprasad,Soni, Vineeta,Gonnade, Rajesh G.,Punji, Benudhar. "Development of (quinolinyl)amido-based pincer palladium complexes: A robust and phosphine-free catalyst system for C-H arylation of benzothiazoles". . p. 3543 - 3554. Retrieved 2017/07/12.