4-(4-Ethylpiperazin-1-yl)aniline

Base Information

• Chemical Name: 4-(4-Ethylpiperazin-1-yl)aniline
• CAS No.: 115619-01-7
• Molecular Formula: C12H19N3
• Molecular Weight: 205.303
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30359078
• Wikidata: Q72476836
• ChEMBL ID: CHEMBL1370095
• Mol file: 115619-01-7.mol

Synonyms:115619-01-7;4-(4-ethylpiperazin-1-yl)aniline;4-(4-ethylpiperazin-1-yl)phenylamine;4-(4-ethylpiperazino)aniline;4-(4-Ethylpiperazin-1-ly)aniline;4-(4-ethyl-piperazin-1-yl)phenylamine;Benzenamine, 4-(4-ethyl-1-piperazinyl)-;4-(4-ethylpiperazin-1-yl)benzenamine;4-(4-Ethyl-piperazin-1-yl)-phenylamine;MFCD00702246;4-(4-ethylpiperazinyl)phenylamine;Bionet2_000608;Oprea1_616823;MLS000856383;SCHEMBL158007;CHEMBL1370095;DTXSID30359078;HMS1365L14;HMS2682K17;4-(4-ethyl-1-piperazinyl)aniline;4-(4-ethylpiperazine-1-yl)aniline;4-(4-ethylpiperazinyl)phenyl-amine;BCP20614;4-(4-Ethylpiperazin-1-yl)-aniline;CL1611;STK243956;AKOS000103039;CCG-202970;CS-W002669;[4-(4-ethyl-1-piperazinyl)phenyl]amine;AC-23283;SMR000279328;SY007657;AM20061063;BB 0245022;FT-0642817;EN300-11760;5R-1532;W-204851;4-(4-ethyl-piperazin-1-yl)-phenylamine, AldrichCPR;Z57291376;VYU

Chemical Property of 4-(4-Ethylpiperazin-1-yl)aniline

Chemical Property:

• Vapor Pressure: 1.69E-05mmHg at 25°C
• Melting Point: 76-78 °C
• Refractive Index: 1.574
• Boiling Point: 364.4 °C at 760 mmHg
• PKA: 8.05±0.10(Predicted)
• Flash Point: 171.6 °C
• PSA: 32.50000
• Density: 1.065 g/cm³
• LogP: 1.99480
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.157897619
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

98% ^*data from raw suppliers

4-(4-Ethylpiperazin-1-ly)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)N

Technology Process of 4-(4-Ethylpiperazin-1-yl)aniline

There total 8 articles about 4-(4-Ethylpiperazin-1-yl)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: 98.0%

1-ethyl-4-(4-nitro-phenyl)-piperazine (115619-00-6) → 4-(4-ethylpiperazin-1-yl)aniline (115619-01-7)

Guidance literature:

With hydrogen; In methanol; at 25 ℃; for 7h;

DOI:10.1021/jm2006222

Reference yield: 68.7%

4-ethylpiperazine (5308-25-8) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 4-(4-ethylpiperazin-1-yl)aniline (115619-01-7)

Guidance literature:

4-ethylpiperazine; 4-Fluoronitrobenzene; With potassium carbonate; In dimethyl sulfoxide; at 40 ℃; for 3h;

With palladium 10% on activated carbon; hydrogen; In methanol; at 40 ℃; for 1h;

Reference yield:

4-ethylpiperazine (5308-25-8) → 4-(4-ethylpiperazin-1-yl)aniline (115619-01-7)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / toluene / 90 °C / Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / 2585.81 Torr

With palladium 10% on activated carbon; hydrogen; palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; 1: Hartwig-Buchwald reaction;

DOI:10.1016/j.ejmech.2011.04.016

upstream raw materials:

1-ethyl-4-(4-nitro-phenyl)-piperazine

4-ethylpiperazine

p-nitrobenzene iodide

para-nitrophenyl bromide

Downstream raw materials:

4-(4-ethylpiperazinyl)benzeneisothiocyanate

N²-(4-(4-ethylpiperazin-1-yl)phenyl)-N⁴-methyl-1,3,5-triazine-2,4-diamine

N-[4-(4-ethyl-piperazin-1-yl)-phenyl]-pyrimidine-4,6-diamine

6-bromo-8-ethyl-2-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one