2-(Piperazin-1-yl)benzenamine

Base Information

• Chemical Name: 2-(Piperazin-1-yl)benzenamine
• CAS No.: 13339-02-1
• Molecular Formula: C10H15N3
• Molecular Weight: 177.249
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20330614
• Nikkaji Number: J3.186.747I
• Wikidata: Q27461764
• Mol file: 13339-02-1.mol

Synonyms:2-(piperazin-1-yl)benzenamine;13339-02-1;2-piperazin-1-ylaniline;2-Piperazin-1-yl-phenylamine;2-(piperazin-1-yl)aniline;2-Piperazin-1-Yl-Aniline;MFCD03444413;2-(1-Piperazino)aniline;2-(1-Piperazinyl)aniline;Oprea1_502972;SCHEMBL532010;2-(1-Piperazino)aniline 3HCl;DTXSID20330614;CHEBI:195050;BBL102324;STL556124;AKOS003587591;TS-02469;FT-0636872;EN300-7365792;A888119;Q27461764;2-PIPERAZIN-1-YLANILINE;Benzenamine, 2-(1-piperazinyl)- (9CI);2-Piperazin-1-ylaniline 95%;2-(1-Piperazino)aniline, 95%;JRB

Chemical Property of 2-(Piperazin-1-yl)benzenamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 110 °C
• Refractive Index: 1.591
• Boiling Point: 344.846 °C at 760 mmHg
• Flash Point: 162.358 °C
• PSA: 41.29000
• Density: 1.107g/cm³
• LogP: 1.65340
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.126597491
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99.5% ^*data from raw suppliers

2-(Piperazin-1-yl)benzenamine ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2N

Technology Process of 2-(Piperazin-1-yl)benzenamine

There total 6 articles about 2-(Piperazin-1-yl)benzenamine 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:

1-(2-nitrophenyl)piperazine (59084-06-9) → 1-(2-aminophenyl)piperazine (13339-02-1)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; ethyl acetate; under 760.051 Torr;

DOI:10.1016/j.bmcl.2007.09.057

Reference yield:

C19H22N3O3Pol → 1-(2-aminophenyl)piperazine (13339-02-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; polystyrene-based Wang resin

DOI:10.1016/j.tetlet.2013.03.010

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 1-(2-aminophenyl)piperazine (13339-02-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 2 h / 20 °C

2: palladium 10% on activated carbon; hydrogen / ethanol / 12 h / 20 °C

With palladium 10% on activated carbon; hydrogen; In ethanol;

upstream raw materials:

bis(2-bromoethyl)amine hydrobromide

1,2-diamino-benzene

1-(2-nitrophenyl)piperazine

ortho-nitrofluorobenzene

Downstream raw materials:

Vortioxetine hydrobromide

vortioxetine

Refernces

• 1、 Kaplánek, Robert,Krchňák, Viktor. "Fast and effective reduction of nitroarenes by sodium dithionite under PTC conditions: Application in solid-phase synthesis". . p. 2600 - 2603. Retrieved 2013/06/05.