7-Nitro-5-(trifluoromethyl)-2-Benzothiazolecarboxamide 3-oxide

Base Information

• Chemical Name: 7-Nitro-5-(trifluoromethyl)-2-Benzothiazolecarboxamide 3-oxide
• CAS No.: 40533-25-3
• Molecular Formula: C₉H₄F₃N₃O₄S
• Molecular Weight: 307.21
• Hs Code.: 2934999090
• Mol file: 40533-25-3.mol

Synonyms:Cyclapolin9

Chemical Property of 7-Nitro-5-(trifluoromethyl)-2-Benzothiazolecarboxamide 3-oxide

Chemical Property:

• PSA: 142.61000
• LogP: 3.57920
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Cyclapolin 9 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Cyclapolin 9 is a selective and ATP-competitive Plk inhibitor.

Technology Process of 7-Nitro-5-(trifluoromethyl)-2-Benzothiazolecarboxamide 3-oxide

There total 3 articles about 7-Nitro-5-(trifluoromethyl)-2-Benzothiazolecarboxamide 3-oxide 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:

ethyl 7-nitro-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxylate-3-oxide (34576-35-7) → 2-carbamoyl-7-nitro-5-(trifluoromethyl)benzothiazole 3-oxide (40533-25-3)

Guidance literature:

With ammonia; In methanol; water; at 20 ℃; for 4h;

Reference yield:

4-chloro-3,5-dinitrobenzotrifluoride (393-75-9) → 2-carbamoyl-7-nitro-5-(trifluoromethyl)benzothiazole 3-oxide (40533-25-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethanol / 10 - 20 °C

2: ammonium hydroxide / ethanol / 4 h / 20 - 30 °C

With ammonium hydroxide; triethylamine; In ethanol;

DOI:10.1016/j.chembiol.2018.06.001

Reference yield:

→ 2-carbamoyl-7-nitro-5-(trifluoromethyl)benzothiazole 3-oxide (40533-25-3)

Guidance literature:

4e, NH3;

upstream raw materials:

ethyl 7-nitro-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxylate-3-oxide

4-chloro-3,5-dinitrobenzotrifluoride

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