2-(4-Methoxyphenyl)piperazine

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)piperazine
• CAS No.: 91517-26-9
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• Hs Code.: 2933599090
• European Community (EC) Number: 806-230-5
• DSSTox Substance ID: DTXSID90378063
• Nikkaji Number: J3.202.647H
• Mol file: 91517-26-9.mol

Synonyms:2-(4-methoxyphenyl)piperazine;91517-26-9;2-(4-Methoxy-phenyl)-piperazine;piperazine,2-(4-methoxyphenyl)-;MFCD05864677;PIPERAZINE, 2-(4-METHOXYPHENYL)-;2-(4-methoxypheny)-piperazine;SCHEMBL1639545;2-(4-Methoxy-phenyl)piperazine;2-(4-methoxyphenyl)-piperazine;DTXSID90378063;INKLSJITWMAFRT-UHFFFAOYSA-N;(RS)-2-(4-methoxyphenyl)piperazine;(RS)-3-(4-methoxyphenyl)piperazine;BBL100596;STL554390;AKOS005254795;AB22885;AB36299;AB36302;SS-4311;2-(4-Methoxyphenyl)piperazine, AldrichCPR;acetic acid;(2R)-2-(4-METHOXYPHENYL)PIPERAZINE;(2S)-2-(4-METHOXYPHENYL)PIPERAZINE;AM20050419;FT-0651979;EN300-342319;A843958;J-506047;1198355-35-9;137684-21-0;612507-27-4

Chemical Property of 2-(4-Methoxyphenyl)piperazine

Chemical Property:

• Vapor Pressure: 0.000155mmHg at 25°C
• Melting Point: 55-63℃
• Refractive Index: 1.514
• Boiling Point: 331.5 °C at 760 mmHg
• PKA: 8.84±0.40(Predicted)
• Flash Point: 131.5 °C
• PSA: 33.29000
• Density: 1.029g/cm³
• LogP: 1.58670
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Air Sensitive
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methoxyphenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-38-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CNCCN2

Technology Process of 2-(4-Methoxyphenyl)piperazine

There total 6 articles about 2-(4-Methoxyphenyl)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: 90.0%

C25H28N2O (1421004-97-8) → (RS)-2-(4-methoxyphenyl)piperazine (91517-26-9)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; for 4h;

DOI:10.1016/j.tetlet.2012.11.110

Reference yield: 45.0%

ethylenediamine (107-15-3,85404-18-8) + p-methoxyphenylglyoxal (1076-95-5) → (RS)-2-(4-methoxyphenyl)piperazine (91517-26-9)

Guidance literature:

ethylenediamine; p-methoxyphenylglyoxal; In tetrahydrofuran; methanol; at 0 ℃; for 0.166667h;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 ℃;

Reference yield:

4-Methoxystyrene (637-69-4,24936-44-5) → (RS)-2-(4-methoxyphenyl)piperazine (91517-26-9)

Guidance literature:

Multi-step reaction with 2 steps

1: HgO*2HBF₄ / tetrahydrofuran / 6 h / 70 °C / Inert atmosphere

2: palladium on activated charcoal; hydrogen / methanol / 4 h

With HgO*2HBF₄; palladium on activated charcoal; hydrogen; In tetrahydrofuran; methanol;

DOI:10.1016/j.tetlet.2012.11.110

upstream raw materials:

ethylenediamine

p-methoxyphenylglyoxal

4-Methoxystyrene

C₂₅H₂₈N₂O

Downstream raw materials:

(RS)-1-cyclopropyl-3-ethoxycarbonyl-7-fluoro-8-[3-(4-methoxyphenyl)-1-piperazinyl]-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine