3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-, dibromide

Base Information

• Chemical Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-, dibromide
• CAS No.: 86641-77-2
• Molecular Formula: C18H32Br4N4O2
• Molecular Weight: 656.0883
• DSSTox Substance ID: DTXSID401006990

Synonyms:3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-, dibromide;86641-77-2;N,N'''-Di-(beta-bromopropionyl)-N,N''-dispirotripiperazinium dibromide;3,12-Bis(3-bromo-1-oxopropyl)-3,12-diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane dibromide;C18H32Br2N4O2.2Br;DTXSID401006990;C18-H32-Br2-N4-O2.2Br;LS-59875;3,12-Bis(3-bromopropanoyl)-3,6,9,12-tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium dibromide

Chemical Property of 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-, dibromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 655.92178
• Heavy Atom Count: 28
• Complexity: 457

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C[N+]2(CCN1C(=O)CCBr)CC[N+]3(CCN(CC3)C(=O)CCBr)CC2.[Br-].[Br-]

Technology Process of 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-, dibromide

There total 1 articles about 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-, dibromide 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: 78.4%

3,12-diaza-6,9-diazoniadispiro<5.2.5.2>hexadecane dibromide (38346-99-5) + 3-Bromopropionyl chloride (15486-96-1) → N,N'''-Di(β-bromopropionyl)-N',N''-dispirotripiperazinium dibromide (86641-77-2)

Guidance literature:

With sodium hydrogencarbonate; In water; at 18 - 20 ℃; for 2h;

DOI:10.1007/BF00765650

Reference yield: 76.0%

N,N'''-Di(β-bromopropionyl)-N',N''-dispirotripiperazinium dibromide (86641-77-2) + tiolacetic acid (507-09-5) → N,N'''-Di-<β-(acetylthio)propionyl>-N',N''-dispiropiperazinium dibromide (111854-43-4)

Guidance literature:

With lithium hydroxide; In ethanol; at 20 ℃; for 3h;

DOI:10.1007/BF01146185

upstream raw materials:

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

3-Bromopropionyl chloride

Downstream raw materials:

N,N'''-Di-<β-(acetylthio)propionyl>-N',N''-dispiropiperazinium dibromide

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