2,2,2-trifluoro-N-{2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]phenyl}acetamide

Base Information

• Chemical Name: 2,2,2-trifluoro-N-{2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]phenyl}acetamide
• CAS No.: 134793-44-5
• Molecular Formula: C₂₁H₂₇F₃N₈O₂S
• Molecular Weight: 512.559
• Mol file: 134793-44-5.mol

Synonyms:NSC 623091

Chemical Property of 2,2,2-trifluoro-N-{2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]phenyl}acetamide

Chemical Property:

• Density: 1.52g/cm³

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,2,2-trifluoro-N-{2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]phenyl}acetamide

There total 4 articles about 2,2,2-trifluoro-N-{2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]phenyl}acetamide 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: 90.0%

piperazine (110-85-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-thioxo-6-(2-trifluoroacetamidophenyl)-1,2,4-triazin-5(2H,4H)one (134793-40-1) → 2,2,2-Trifluoro-N-[2-(5-oxo-2,4-bis-piperazin-1-ylmethyl-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-phenyl]-acetamide (134793-44-5)

Guidance literature:

In methanol; for 4h; Heating;

Reference yield:

6-(2’-aminophenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (27161-64-4) → 2,2,2-Trifluoro-N-[2-(5-oxo-2,4-bis-piperazin-1-ylmethyl-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-phenyl]-acetamide (134793-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / piperidine / ethanol / 2 h / Heating

2: 90 percent / methanol / 4 h / Heating

With piperidine; In methanol; ethanol;

Reference yield:

3-thioxo-6-(2-trifluoroacetamidophenyl)-1,2,4-triazin-5(2H,4H)one (134793-40-1) → 2,2,2-Trifluoro-N-[2-(5-oxo-2,4-bis-piperazin-1-ylmethyl-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-phenyl]-acetamide (134793-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / methanol / 4 h / Ambient temperature

2: methanol / 2 h / Heating

In methanol;

upstream raw materials:

piperazine

formaldehyd

3-thioxo-6-(2-trifluoroacetamidophenyl)-1,2,4-triazin-5(2H,4H)one

2,2,2-Trifluoro-N-[2-(5-oxo-4-piperazin-1-ylmethyl-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-phenyl]-acetamide

Downstream raw materials:

N-(2-{2,4-Bis-[(E)-2-(4-bromo-phenyl)-1-piperazin-1-yl-vinyl]-5-oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl}-phenyl)-2,2,2-trifluoro-acetamide

N-(2-{2,4-Bis-[4-(2-chloro-acetyl)-piperazin-1-ylmethyl]-5-oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl}-phenyl)-2,2,2-trifluoro-acetamide

N-(2-{2,4-Bis-[(E)-2-(4-dimethylamino-phenyl)-1-piperazin-1-yl-vinyl]-5-oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl}-phenyl)-2,2,2-trifluoro-acetamide

2,2,2-Trifluoro-N-[2-(5-oxo-2,4-bis-{4-[2-(thiazol-2-ylamino)-acetyl]-piperazin-1-ylmethyl}-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-phenyl]-acetamide