3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-((phenylmethyl)amino)propyl)-, dichloride

Base Information

• Chemical Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-((phenylmethyl)amino)propyl)-, dichloride
• CAS No.: 95461-35-1
• Molecular Formula: C32H48 N6 O2 . 2 Cl
• Molecular Weight: 619.678
• DSSTox Substance ID: DTXSID70914988

Synonyms:3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-((phenylmethyl)amino)propyl)-, dichloride;95461-35-1;N,N'''-Di(beta-(N-benzyl)aminopropionyl)-N',N''-dispirotripiperazinium dichloride;DTXSID70914988;3,12-Bis[3-(benzylamino)propanoyl]-3,6,9,12-tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium dichloride

Chemical Property of 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-((phenylmethyl)amino)propyl)-, dichloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 618.3215802
• Heavy Atom Count: 42
• Complexity: 715

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C[N+]2(CCN1C(=O)CCNCC3=CC=CC=C3)CC[N+]4(CCN(CC4)C(=O)CCNCC5=CC=CC=C5)CC2.[Cl-].[Cl-]

Technology Process of 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-((phenylmethyl)amino)propyl)-, dichloride

There total 2 articles about 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-((phenylmethyl)amino)propyl)-, dichloride 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: 70.0%

3,12-Bisacrylyl-3,12-diaza-6,9-diazoniadispiro<5,2,5,2>hexadecane dichloride (95461-34-0) + benzylamine (100-46-9) → N,N'''-Di<β-(N-benzyl)aminopropionyl>-N',N''-dispirotripiperazinium dichloride (95461-35-1)

Guidance literature:

With lithium carbonate; In water; at 20 - 25 ℃; for 48h;

DOI:10.1007/BF00768330

Reference yield:

3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dichloride (1589-04-4) → N,N'''-Di<β-(N-benzyl)aminopropionyl>-N',N''-dispirotripiperazinium dichloride (95461-35-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / Li₂CO₃ / H₂O / 1.) 0 deg C, 15 min, 2.) 15 deg C, 30 min

2: 70 percent / Li₂CO₃ / H₂O / 48 h / 20 - 25 °C

With lithium carbonate; In water;

DOI:10.1007/BF00768330

upstream raw materials:

3,12-Bisacrylyl-3,12-diaza-6,9-diazoniadispiro<5,2,5,2>hexadecane dichloride

benzylamine

3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dichloride

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