4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide

Base Information

• Chemical Name: 4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide
• CAS No.: 1332391-11-3
• Molecular Formula: C₂₀H₁₃F₄N₅O₂S
• Molecular Weight: 463.415
• Mol file: 1332391-11-3.mol

Synonyms:4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide

Chemical Property of 4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide

There total 15 articles about 4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide 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: 85.0%

5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile (573762-62-6) + C12H13FN2O3 → 4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide (1332391-11-3)

Guidance literature:

With phenylcarbonochloridothioate; In N,N-dimethyl acetamide; at 20 - 80 ℃; for 8h;

Reference yield: 80.0%

2-cyano-3-trifluoromethyl-5-bromopyridine (1214377-57-7) + C13H12FN3O2S → 4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide (1332391-11-3)

Guidance literature:

With copper(l) iodide; N-(2-methylnaphthalen-1-yl)-N'-benzyl oxalamide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 90 - 100 ℃; for 6h; Inert atmosphere;

Reference yield:

ethyl-4-amino-2-fluorobenzoate (73792-06-0) → 4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide (1332391-11-3)

Guidance literature:

Multi-step reaction with 4 steps

1.1: acetic acid / 80 °C

2.1: N,N-dimethyl acetamide / 70 °C

2.2: 2 h / Reflux

3.1: water; sodium hydroxide / methanol / 18 h / 20 °C

3.2: pH 2

4.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 4 h / 20 °C

4.2: 20 °C

With oxalyl dichloride; water; sodium hydroxide; N,N-dimethyl-formamide; In methanol; dichloromethane; N,N-dimethyl acetamide; acetic acid;

upstream raw materials:

ethyl-4-amino-2-fluorobenzoate

5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile

2-hydroxy-3-trifluoromethyl-5-(iodo)pyridine

2-chloro-5-iodo-3-(trifluoromethyl)pyridine

Refernces

• 1、 -. "Alluzole intermediate and method for preparing". . . Retrieved 2021/09/21.