3-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium

Base Information

• Chemical Name: 3-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium
• CAS No.: 6286-04-0
• Molecular Formula: C₁₆H₁₃N₂O₂S*I
• Molecular Weight: 424.262
• Mol file: 6286-04-0.mol

Synonyms:Benzothiazolium,3-methyl-2-[2-(4-nitrophenyl)ethenyl]-, iodide (9CI); NSC 10513

Chemical Property of 3-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium

There total 3 articles about 3-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium 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%

4-nitrobenzaldehdye (555-16-8) + 2,3-dimethylbenzothiazolium iodide (2785-06-0) → (E)-3-methyl-2-(4-nitrostyryl)benzo[d]thiazol-3-ium iodide (6286-04-0)

Guidance literature:

With piperidine; In methanol; Reflux;

DOI:10.1021/acs.jmedchem.1c00465

Reference yield: 82.0%

→ (E)-3-methyl-2-(4-nitrostyryl)benzo[d]thiazol-3-ium iodide (6286-04-0)

Guidance literature:

With pyridine; In methanol; for 12h; Reflux;

Reference yield:

2-Methylbenzothiazole (120-75-2) → (E)-3-methyl-2-(4-nitrostyryl)benzo[d]thiazol-3-ium iodide (6286-04-0)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / 24 h / Reflux; Inert atmosphere

2: piperidine / methanol / Reflux

With piperidine; In methanol; acetonitrile;

DOI:10.1021/acs.jmedchem.1c00465

upstream raw materials:

4-nitrobenzaldehdye

2,3-dimethylbenzothiazolium iodide

2-Methylbenzothiazole