1-Boc-4-(4-Amino-2-trifluoromethylphenyl)piperazine

Base Information

• Chemical Name: 1-Boc-4-(4-Amino-2-trifluoromethylphenyl)piperazine
• CAS No.: 193902-87-3
• Molecular Formula: C₁₆H₂₂F₃N₃O₂
• Molecular Weight: 345.365
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50592465
• Wikidata: Q72442809
• Mol file: 193902-87-3.mol

Synonyms:193902-87-3;1-Boc-4-(4-Amino-2-trifluoromethylphenyl)piperazine;tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate;4-(4-Amino-2-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate;4-(4-Boc-piperazin-1-yl)-3-trifluoromethylaniline;5-Amino-2-(4-BOC-piperazino)benzotrifluoride;4-(4-amino-2-trifluoromethylphenyl)piperazine-1-carboxylic acid tert-butyl ester;MFCD04117868;1-Boc-4-(4-Amino-2-trifluoromethylphenyl)-piperazine;C16H22F3N3O2;SCHEMBL265716;DTXSID50592465;AMY23986;AKOS015836991;CS-W021302;DS-0034;SY109656;DB-001929;A4267;1-Boc-4-[4-amino-2-(trifluoromethyl)phenyl]piperazine;tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazin-1-carboxylate;tert-butyl4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate;1-Piperazinecarboxylicacid,4-[4-amino-2-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester

Chemical Property of 1-Boc-4-(4-Amino-2-trifluoromethylphenyl)piperazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 446.521 °C at 760 mmHg
• PKA: 6.46±0.10(Predicted)
• Flash Point: 223.848 °C
• PSA: 58.80000
• Density: 1.252 g/cm³
• LogP: 3.92880
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 345.16641144
• Heavy Atom Count: 24
• Complexity: 443

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-2-(4-BOC-piperazino)benzotrifluoride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F

Technology Process of 1-Boc-4-(4-Amino-2-trifluoromethylphenyl)piperazine

There total 6 articles about 1-Boc-4-(4-Amino-2-trifluoromethylphenyl)piperazine 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: 87.0%

tert-butyl 4-(4-nitro-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate (193902-86-2) → tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate (193902-87-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃;

DOI:10.1016/j.bmc.2015.11.003

Reference yield:

4-(nitro-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester → tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate (193902-87-3)

Guidance literature:

With hydrogen; palladium; In ethyl acetate;

Reference yield:

2-Fluoro-5-nitrobenzotrifluoride (400-74-8) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate (193902-87-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 16 h / 80 °C

2: hydrogen / Raney Nickel / methanol / 16 h / Inert atmosphere

With hydrogen; potassium carbonate; Raney Nickel; In methanol; acetonitrile;

upstream raw materials:

tert-butyl 4-(4-nitro-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate

2-Fluoro-5-nitrobenzotrifluoride

1-t-Butoxycarbonylpiperazine

4-chloro-3-(trifluoromethyl)nitrobenzene