4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline

Base Information

• Chemical Name: 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
• CAS No.: 694499-26-8
• Molecular Formula: C13H18F3N3
• Molecular Weight: 273.301
• Hs Code.: 2933599090
• Mol file: 694499-26-8.mol

Synonyms:4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline;

Chemical Property of 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline

Chemical Property:

• Boiling Point: 329.1±42.0 °C(Predicted)
• PKA: 7.55±0.10(Predicted)
• PSA: 32.50000
• Density: 1.227
• LogP: 2.49200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(6-Acryloyloxyhexyloxy)-benzoesure (4-cyanophenylester) can be used as an intermediate in organic synthesis, mainly used in laboratory research and development and in the process of chemical and pharmaceutical synthesis.

Technology Process of 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline

There total 21 articles about 4-(4-Methylpiperazinomethyl)-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: 100.0%

1-methyl-4-{[4-nitro-2-(trifluoromethyl)phenyl]methyl}piperazine → 4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline (694499-26-8)

Guidance literature:

With hydrogen; nickel; In methanol; for 24h; under 2585.81 Torr;

Reference yield: 99.0%

[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone (853297-04-8) → 4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline (694499-26-8)

Guidance literature:

[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 ℃; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃;

With sodium hydroxide; In tetrahydrofuran; water; at 0 ℃;

DOI:10.1016/j.bmc.2010.08.042

Reference yield: 88.0%

1-methyl-piperazine (109-01-3) + 4-amino-2-(trifluoromethyl)benzaldehyde (876322-73-5) → 4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline (694499-26-8)

Guidance literature:

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

1-methyl-piperazine; With pyridinium p-toluenesulfonate; In ethyl acetate; at 76 - 78 ℃;

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

DOI:10.1021/op800136f

upstream raw materials:

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

[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone

4-nitro-2-(trifluoromethyl)benzoic acid

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

Downstream raw materials:

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

N-[4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-2-nitro-benzamide

N-[4-(6-chloro-pyrimidin-4-yloxy)-phenyl]-N'-[4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-urea

6-[[2-(cyclopropylcarbonyl)amino-pyridin-4-yl]oxy]-naphthalene-1-carboxylic acid [4-[(4-methyl-1-piperazinyl)methyl]-3-trifluoromethyl-phenyl]amide