TK₄₅₄₇-070E

Base Information

• Chemical Name: TK₄₅₄₇-070E
• CAS No.: 1383531-32-5
• Molecular Formula: C₂₂H₂₀F₃N₅O₄S
• Molecular Weight: 507.493
• Mol file: 1383531-32-5.mol

Synonyms:TK₄₅₄₇-070E

Chemical Property of TK₄₅₄₇-070E

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of TK₄₅₄₇-070E

There total 5 articles about TK₄₅₄₇-070E 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: 50.0%

1-[N-methyl-N-(phenyl)aminocarbonylmethyl]piperazine (318280-95-4) + 2‐(methylthio)‐8‐nitro‐6‐(trifluoromethyl)‐1,3‐ benzothiazin‐4‐one (1344087-73-5) → TK4547-070E (1383531-32-5)

Guidance literature:

In ethanol; at 60 ℃;

Reference yield:

2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid (22227-59-4) → TK4547-070E (1383531-32-5)

Guidance literature:

Multi-step reaction with 4 steps

1.1: thionyl chloride / N,N-dimethyl-formamide / chloroform / 3 h / Inert atmosphere; Reflux

2.1: ammonium hydroxide / acetonitrile / 0.5 h / 0 °C

3.1: sodium hydroxide / dimethyl sulfoxide / 0.25 h / 10 °C

3.2: 0.58 h

4.1: ethanol / 60 °C

With ammonium hydroxide; thionyl chloride; sodium hydroxide; N,N-dimethyl-formamide; In ethanol; chloroform; dimethyl sulfoxide; acetonitrile;

Reference yield:

4-chlorobenzotrifluoride (98-56-6) → TK4547-070E (1383531-32-5)

Guidance literature:

Multi-step reaction with 6 steps

1.1: N,N,N,N,-tetramethylethylenediamine; n-butyllithium / tetrahydrofuran; hexanes / 1 h / -78 °C / Inert atmosphere

1.2: 0.33 h

1.3: pH 1 / Acidic aqueous solution

2.1: nitric acid; sulfuric acid / 1.18 h / 90 °C

3.1: thionyl chloride / N,N-dimethyl-formamide / chloroform / 3 h / Inert atmosphere; Reflux

4.1: ammonium hydroxide / acetonitrile / 0.5 h / 0 °C

5.1: sodium hydroxide / dimethyl sulfoxide / 0.25 h / 10 °C

5.2: 0.58 h

6.1: ethanol / 60 °C

With ammonium hydroxide; n-butyllithium; thionyl chloride; N,N,N,N,-tetramethylethylenediamine; sulfuric acid; nitric acid; sodium hydroxide; N,N-dimethyl-formamide; In tetrahydrofuran; hexanes; ethanol; chloroform; dimethyl sulfoxide; acetonitrile;

upstream raw materials:

4-chlorobenzotrifluoride

2-chloro-5-trifluoromethylbenzoic acid

2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid

2-chloro-3-nitro-5-(trifluoromethyl)benzoyl chloride

Refernces

• 1、 -. "NOVEL ANTI-TUBERCULOSIS AGENTS". . . Retrieved 2012/07/13.