1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium

Base Information

• Chemical Name: 1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
• CAS No.: 115388-32-4
• Molecular Formula: C₂₆H₃₀O₄
• Molecular Weight: 406.522
• DSSTox Substance ID: DTXSID90921710
• Wikidata: Q27133053
• Mol file: 115388-32-4.mol

Synonyms:NAN 190(1+);1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium;NAN 190 cation;CHEBI:64132;DTXSID90921710;Q27133053;2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione

Chemical Property of 1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium

Chemical Property:

• Vapor Pressure: 1.32E-12mmHg at 25°C
• Boiling Point: 560.8°Cat760mmHg
• Flash Point: 293°C
• PSA: 53.09000
• Density: g/cm³
• LogP: 3.79250
• Storage Temp.: Store at RT
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 394.21306676
• Heavy Atom Count: 29
• Complexity: 552

Purity/Quality:

97% ^*data from raw suppliers

NAN-190 hydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1N2CC[NH+](CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Technology Process of 1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium

There total 1 articles about 1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium 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:

→ 8,8'-Dimethoxy-5,5'-diethoxy-3,3',4,4'-tetrahydro-binaphthyl-(1,1') (115388-32-4)

Guidance literature:

8-Methoxy-5-ethoxy-tetralon-(1), Al, HgCl2 (in sd. A., 9h);