6-nitro-2-(Trifluoromethyl)benzothiazole

Base Information

• Chemical Name: 6-nitro-2-(Trifluoromethyl)benzothiazole
• CAS No.: 1225041-15-5
• Molecular Formula: C8H3F3N2O2S
• Molecular Weight: 248.18
• Mol file: 1225041-15-5.mol

Synonyms:6-nitro-2-(trifluoromethyl)benzo[d]thiazole;6-nitro-2-(Trifluoromethyl)benzothiazole;

Chemical Property of 6-nitro-2-(Trifluoromethyl)benzothiazole

Chemical Property:

• PSA: 86.95000
• LogP: 3.74650

Purity/Quality:

98%min ^*data from raw suppliers

6-Nitro-2-(trifluoromethyl)benzo[d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-nitro-2-(Trifluoromethyl)benzothiazole

There total 3 articles about 6-nitro-2-(Trifluoromethyl)benzothiazole 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: 61.0%

C8H3ClF3IN2O2 (1246965-89-8) → 6-nitro-2-(trifluoromethyl)benzo[d]thiazole (1225041-15-5)

Guidance literature:

With copper(l) iodide; sodium monohydrogen sulfide x-hydrate; potassium phosphate; In N,N-dimethyl-formamide; at 80 ℃; for 10h; regioselective reaction;

DOI:10.1021/jo101675f

Reference yield: 55.0%

2,2,2-trifluoro-N-(4-nitro-phenyl)-thioacetamide → 6-nitro-2-(trifluoromethyl)benzo[d]thiazole (1225041-15-5)

Guidance literature:

With palladium dichloride; In dimethyl sulfoxide; at 110 ℃; for 3h;

DOI:10.1021/ol1006899

Reference yield:

N-(4-nitrophenyl)-2,2,2-trifluoroacetimidoyl chloride (145372-31-2) → 6-nitro-2-(trifluoromethyl)benzo[d]thiazole (1225041-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrosulfide monohydrate / ethanol / 20 °C

2: ammonium cerium (IV) nitrate; sodium hydrogencarbonate / acetonitrile / 0.5 h / 80 °C

With ammonium cerium (IV) nitrate; sodium hydrosulfide monohydrate; sodium hydrogencarbonate; In ethanol; acetonitrile;

DOI:10.1016/j.jfluchem.2011.02.010

upstream raw materials:

C₈H₃ClF₃IN₂O₂

N-(4-nitrophenyl)-2,2,2-trifluoroacetimidoyl chloride

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