BenzaMide, 3-iodo-4-Methyl-N-[4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-

Base Information

• Chemical Name: BenzaMide, 3-iodo-4-Methyl-N-[4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-
• CAS No.: 943320-50-1
• Molecular Formula: C₂₁H₂₃F₃IN₃O
• Molecular Weight: 517.333
• Mol file: 943320-50-1.mol

Synonyms:BenzaMide, 3-iodo-4-Methyl-N-[4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-;3-iodo-4-Methyl-N-(4-((4-Methylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)phenyl)benzaMide;3-Iodo-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide

Chemical Property of BenzaMide, 3-iodo-4-Methyl-N-[4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-

Chemical Property:

• Boiling Point: 466.6±45.0 °C(Predicted)
• PKA: 12.42±0.70(Predicted)
• PSA: 39.07000
• Density: 1.532±0.06 g/cm3(Predicted)
• LogP: 4.87790
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Iodo-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide is a useful research chemical compound.

Technology Process of BenzaMide, 3-iodo-4-Methyl-N-[4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-

There total 4 articles about BenzaMide, 3-iodo-4-Methyl-N-[4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]- 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: 74.3%

→ 3-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl) phenyl)benzamide (943320-50-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 0.5h;

In dichloromethane; at 45 ℃;

Reference yield:

4-nitro-2-(trifluoromethyl)benzaldehyde (50551-17-2) → 3-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl) phenyl)benzamide (943320-50-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium tris(acetoxy)borohydride; acetic acid / tetrahydrofuran / 2 h / Inert atmosphere

2.1: hydrogen; palladium on activated charcoal / ethanol

3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; dmap; benzotriazol-1-ol / N,N-dimethyl-formamide / 0.5 h / 20 °C

3.2: 20 °C

With dmap; palladium on activated charcoal; hydrogen; sodium tris(acetoxy)borohydride; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.7b00841

Reference yield:

2-Trifluoromethylbenzaldehyde (447-61-0) → 3-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl) phenyl)benzamide (943320-50-1)

Guidance literature:

Multi-step reaction with 6 steps

1.1: tetrabutylammomium bromide; sodium tetrahydroborate / ethanol / 2 h / 0 - 40 °C

2.1: nitric acid / sulfuric acid / 3 h / -20 - 0 °C

3.1: phosphorus tribromide / toluene / 2 h / Cooling with ice

4.1: N-ethyl-N,N-diisopropylamine / chloroform / 60 °C

5.1: hydrogen / isopropyl alcohol / 3 h / Reflux

6.1: thionyl chloride / 6 h / Reflux

6.2: 5 h / 60 °C

6.3: 4 h / 50 °C

With sodium tetrahydroborate; thionyl chloride; tetrabutylammomium bromide; hydrogen; nitric acid; phosphorus tribromide; N-ethyl-N,N-diisopropylamine; In ethanol; chloroform; sulfuric acid; isopropyl alcohol; toluene;

upstream raw materials:

4-nitro-2-(trifluoromethyl)benzaldehyde

2-Trifluoromethylbenzaldehyde

4-nitro-2-(trifluoromethyl)benzoic acid

Downstream raw materials:

ponatinib

Refernces

• 1、 -. "KINASE INHIBITORS AND USES THEREOF". . . Retrieved 2020/10/21.
• 2、 -. "Benzamide compounds containing acetenyl group". . . Retrieved 2017/07/22.