4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline

Base Information

• Chemical Name: 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
• CAS No.: 330796-48-0
• Molecular Formula: C12H16F3N3
• Molecular Weight: 259.27100
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70424678
• Mol file: 330796-48-0.mol

Synonyms:330796-48-0;4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline;4-(4-Methyl-piperazin-1-yl)-3-trifluoromethyl-phenylamine;MFCD07791534;4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)aniline;Benzenamine, 4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)-;SCHEMBL880662;DTXSID70424678;AC8452;BBL030862;STL255601;AKOS000101742;SY252899;VS-10084;CS-0118613;FT-0677837;A928087;4-(4-methylpiperazin-1-yl)-3-trifluoromethylphenylamine;4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)phenylamine;4-(4-methylpiperazin-1-yl)-3-trifluoromethyl phenylamine;4-(4-Methyl-piperazin-1-yl)-3-trifluoromethyl-phenylamine, AldrichCPR

Chemical Property of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 2.91E-05mmHg at 25°C
• Boiling Point: 356.5oC at 760 mmHg
• Flash Point: 169.4oC
• PSA: 32.50000
• Density: 1.243g/cm3
• LogP: 2.62350
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 259.12963201
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F
• Uses: 4-(4-Methyl-piperazin-1-yl)-3-trifluoromethyl-phenylamine is used in preparation of heterocycle-fused pyrimidine derivatives and use thereof.

Technology Process of 4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)aniline

There total 5 articles about 4-(4-Methylpiperazin-1-yl)-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%

→ 4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)aniline (330796-48-0)

Guidance literature:

Reference yield:

1-methyl-4-(4-nitro-2-(trifluoromethyl)phenyl)piperazine (309734-66-5) → 4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)aniline (330796-48-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 1h; under 2068.65 Torr;

Reference yield:

1-methyl-piperazine (109-01-3) + 2-bromo-5-nitro-benzotrifluoride (367-67-9) → 4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)aniline (330796-48-0)

Guidance literature:

nickel; at 140 ℃; for 4h;

upstream raw materials:

1-methyl-4-(4-nitro-2-(trifluoromethyl)phenyl)piperazine

1-methyl-piperazine

2-bromo-5-nitro-benzotrifluoride

2-Fluoro-5-nitrobenzotrifluoride