1,4,8,11-Tetraazacyclotetradecane-5,7-dione

Base Information

• Chemical Name: 1,4,8,11-Tetraazacyclotetradecane-5,7-dione
• CAS No.: 63972-19-0
• Molecular Formula: C10H20N4O2
• Molecular Weight: 228.294
• Hs Code.: 2933990090
• European Community (EC) Number: 623-548-8
• DSSTox Substance ID: DTXSID90213809
• Nikkaji Number: J492.639K
• Wikidata: Q83089411
• Mol file: 63972-19-0.mol

Synonyms:1,4,8,11-tetraazacyclotetradecane-12,14-dione;dioxocyclam

Chemical Property of 1,4,8,11-Tetraazacyclotetradecane-5,7-dione

Chemical Property:

• Appearance/Colour: WHITE TO LIGHT RED POWDER OR CRYSTALS
• Vapor Pressure: 3.09E-12mmHg at 25°C
• Melting Point: 172-176 °C(lit.)
• Refractive Index: 1.442
• Boiling Point: 552.1 °C at 760 mmHg
• Flash Point: 234.8 °C
• PSA: 82.26000
• Density: 1.012 g/cm³
• LogP: -0.49300
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 228.15862589
• Heavy Atom Count: 16
• Complexity: 211

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4,8,11-Tetraazacyclotetradecane-5,7-dione 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CNCCNC(=O)CC(=O)NCCNC1

Technology Process of 1,4,8,11-Tetraazacyclotetradecane-5,7-dione

There total 4 articles about 1,4,8,11-Tetraazacyclotetradecane-5,7-dione 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:

AuCl2(NHCOCH2CONHC2H4NHC3H6NHC2H4)(1+)*AuCl4(1-)={AuCl2(NHCOCH2CONHC2H4NHC3H6NHC2H4)}(AuCl4) (136537-72-9) → 1,4,8,11-tetraazacyclotetradecane-5,7-dione (63972-19-0) + gold oxide + gold (7440-57-5,457905-15-6)

Guidance literature:

In acetonitrile; heating;

Reference yield:

Cu(C3H2O2N2(CH2CH2)2N2H2C3H6) + hydrogen cation → 1,4,8,11-tetraazacyclotetradecane-5,7-dione (63972-19-0) + copper(II) ion

Guidance literature:

In further solvent(s); aq. KNO3/ClCH2COOH buffer, 15-45°C; Kinetics;

DOI:10.1016/S0277-5387(96)00516-5

Reference yield:

3,7-diazanonane-1,9-diamine (4741-99-5) + diethyl malonate (105-53-3) → 1,4,8,11-tetraazacyclotetradecane-5,7-dione (63972-19-0)

Guidance literature:

In ethanol; for 72h;

DOI:10.1107/S0108270102003165

upstream raw materials:

3,7-diazanonane-1,9-diamine

diethyl malonate

AuCl₂(NHCOCH₂CONHC₂H₄NHC₃H₆NHC₂H₄)⁽¹⁺⁾*AuCl₄^(1-)={AuCl₂(NHCOCH₂CONHC₂H₄NHC₃H₆NHC₂H₄)}(AuCl₄)

Downstream raw materials:

1,11-dibenzyl-1,4,8,11-tetraazacyclotetradecane-5,7-dione

1,11-N,N'-bis(p-toluenesulphonyl)-1,4,8,11-tetraazacyclotetradecane

1,11-Bis-(toluene-4-sulfonyl)-1,4,8,11-tetraaza-cyclotetradecane-5,7-dione

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