1,4,7,10-Tetraazacyclotridecane

Base Information

• Chemical Name: 1,4,7,10-Tetraazacyclotridecane
• CAS No.: 295-14-7
• Molecular Formula: C9H22N4
• Molecular Weight: 186.3
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50467124
• Nikkaji Number: J642.436H
• Wikidata: Q82293926
• ChEMBL ID: CHEMBL4518637
• Mol file: 295-14-7.mol

Synonyms:1,4,7,10-TETRAAZACYCLOTRIDECANE;295-14-7;1,4,7,10-tetrazacyclotridecane;Homocyclen;MFCD06410986;SCHEMBL361036;CHEMBL4518637;DTXSID50467124;LADZJJOUGVGJHM-UHFFFAOYSA-N;AKOS025295074;CS-0106263;FT-0690538

Chemical Property of 1,4,7,10-Tetraazacyclotridecane

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 143 °C
• Refractive Index: 1.425
• Boiling Point: 300.528 °C at 760 mmHg
• PKA: 10.85±0.20(Predicted)
• Flash Point: 139.736 °C
• PSA: 48.12000
• Density: 0.868 g/cm³
• LogP: 0.06370
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 186.18444672
• Heavy Atom Count: 13
• Complexity: 95.8

Purity/Quality:

99% ^*data from raw suppliers

1,4,7,10-Tetraazacyclotridecane, min. 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCNCCNCCNC1
• Uses: 1,4,7,10-Tetraazacyclotridecane is used to find the binding constants, and for building block elements.

Technology Process of 1,4,7,10-Tetraazacyclotridecane

There total 1 articles about 1,4,7,10-Tetraazacyclotridecane 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:

C15H26N4 → cyclohexane-1,2-dione (765-87-7) + 1,4,7,10-tetraazacyclotridecane (295-14-7)

Guidance literature:

With hydrogenchloride; In water; at 60 ℃; for 6h;

DOI:10.1080/00397910600910633

Reference yield: 50.0%

zinc perchlorate + para-thiocresol (106-45-6) + 1,4,7,10-tetraazacyclotridecane (295-14-7) → ([13]aneN4)Zn(4-methylbenzenethiolate) perchlorate

Guidance literature:

In methanol; potassium hydroxide; byproducts: KClO4; ligand added under stirring to a hot soln. of Zn salt in CH3OH, heated under stirring for 15 min, treated dropwise with thiol in 0.5 M KOH; filtered, crystd., filtered, recrystd.(CH3OH), elem. anal.;

DOI:10.1002/ejic.200500947

Reference yield: 31.0%

zinc perchlorate + phenylmethanethiol (100-53-8) + 1,4,7,10-tetraazacyclotridecane (295-14-7) → ([13]aneN4)Zn(phenylmethanethiolate) perchlorate

Guidance literature:

In methanol; potassium hydroxide; byproducts: KClO4; ligand added under stirring to a hot soln. of Zn salt in CH3OH, heated under stirring for 15 min, treated dropwise with thiol in 0.5 M KOH; filtered, crystd., filtered, recrystd.(CH3OH), elem. anal.;

DOI:10.1002/ejic.200500947

Refernces