4-((4-ethylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)aniline

Base Information

• Chemical Name: 4-((4-ethylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)aniline
• CAS No.: 630125-91-6
• Molecular Formula: C14H20F3N3
• Molecular Weight: 287.328
• Hs Code.: 2933599090
• Mol file: 630125-91-6.mol

Synonyms:4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline;4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzeneamine;4-(4-ethylpiperazinyl)phenylamine;4-(4-ethylpiperazin-1-yl)-aniline;4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethylphenylamine;4-(4-ethyl-1-piperazinyl)aniline;4-(4-ethyl-piperazin-1-yl)-phenylamine;4-(4-ethylpiperazino)aniline;4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzenamine;4-(4-ethylpiperazin-1-yl)benzenamine;4-(4-Ethylpiperazin-1-ly)aniline;3-trifluoromethyl-4-(4-ethylpiperazin-1-ylmethyl)-phenylamine;

Chemical Property of 4-((4-ethylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)aniline

Chemical Property:

• Boiling Point: 344.9±42.0 °C(Predicted)
• PKA: 7.76±0.10(Predicted)
• PSA: 32.50000
• Density: 1.195±0.06 g/cm3(Predicted)
• LogP: 2.88210
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzenamine is one of the key reactants with N-[1-(4-Aminophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzamide used in the synthesis of a pyrrolo[3,2-c]pyridine derivative [N-[1-[4-[[[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzamide (I)], an anticancer diarylurea derivative with multiple-kinase inhibitory effect; Also, it is an intermediate used in the synthesis of N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N''-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea (E926495), which is an inhibitor of RET, FLT3, KDR, c-Abl and c-Kit. Also, it prevent the growth of human thyroid cancer cells.

Technology Process of 4-((4-ethylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)aniline

There total 16 articles about 4-((4-ethylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)aniline 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: 99.0%

1-ethyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine (859027-20-6) → 4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethylphenylamine (630125-91-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 12h;

Reference yield: 87.0%

N-[4-(4-ethyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-2,2,2-trifluoro-acetamide (630125-92-7) → 4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethylphenylamine (630125-91-6)

Guidance literature:

With potassium carbonate;

DOI:10.1021/op800136f

Reference yield: 81.0%

4-ethylpiperazine (5308-25-8) + 4-amino-2-(trifluoromethyl)benzaldehyde (876322-73-5) → 4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethylphenylamine (630125-91-6) + (4-amino-2-(trifluoromethyl)phenyl)methanol (900254-46-8)

Guidance literature:

4-amino-2-(trifluoromethyl)benzaldehyde; With hydrogenchloride; In water; ethyl acetate; toluene; at 20 - 25 ℃; for 0.0833333h; Large scale;

4-ethylpiperazine; With pyridinium p-toluenesulfonate; In ethyl acetate; at 76 - 78 ℃; Large scale;

With sodium tris(acetoxy)borohydride; In ethyl acetate; Large scale;

DOI:10.1021/op800136f

upstream raw materials:

1-ethyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine

N-[4-(4-ethyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-2,2,2-trifluoro-acetamide

1-(bromomethyl)-4-nitro-2-(trifluoromethyl) benzene

1-methyl-4-nitro-2-(trifluoromethyl) benzene

Downstream raw materials:

N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-nitrobenzamide

ethyl 6-(3-(3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenyl)-1H-indazole-3-carboxylate

N-[4-(4-ethyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-3-iodo-4-methyl-benzamide

1-(4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(4-((4-ethylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)urea