156970-79-5

Basic information

• Product Name: 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane
• Synonyms: 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane;1,4,7,10-Tetraazacyclododecane, 1,7-bis(phenylmethyl)-
• CAS NO: 156970-79-5
• Molecular Formula: C22H32N4
• Molecular Weight: 232.28
• Mol File: 156970-79-5.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 494.563 °C at 760 mmHg
• Flash Point: 262.222 °C
• Appearance: white powder
• Density: 1.026 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.547
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive: Hygroscopic
• CAS DataBase Reference: 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane(156970-79-5)
• EPA Substance Registry System: 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane(156970-79-5)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 156970-79-5(Hazardous Substances Data)

Usage

General Description

1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane is a synthetic compound that belongs to the class of macrocyclic compounds. It is a cyclic tetraamine with a backbone consisting of twelve atoms, including four nitrogen atoms. 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane has a unique structure with four benzyl groups attached to the nitrogen atoms, which gives it a high degree of stability and rigidity. 1,7-Dibenzyl-1,4,7,10-tetraazacyclododecane has been extensively studied for its potential applications in various fields, including coordination chemistry, catalysis, and medicinal chemistry. Its stable and rigid structure make it an attractive candidate for use as a metal chelating agent or as a building block for the construction of larger molecular architectures. Additionally, its potential ability to bind to metal ions makes it a promising candidate for use in the development of new MRI contrast agents and as a potential therapeutic agent for the treatment of metal ion-related diseases.

InChI:InChI=1/C22H32N4/c1-3-7-21(8-4-1)19-25-15-11-23-13-17-26(18-14-24-12-16-25)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2

Upstream product

• 100-39-0 benzyl bromide 
• 1422248-30-3 C₂₂H₂₈N₄O₂ 
• 76201-27-9 1,4,7,10-tetra-azacyclododecane-2,6-dione 
• 74199-09-0 cyclen-glyoxal 
• 100-52-7 benzaldehyde 
• 294-90-6 1,4,7,10-tetraazacyclododecan 
• 184031-14-9 13-Oxo-1,4,7,10-tetraaza-13λ⁵-phospha-bicyclo[5.5.1]tridecan-13-ol 
• 62051-27-8 1,4,7,10-Tetraaza-13-phosphatricyclo[5.5.1.04,13 ]-tridecane 
• 61754-96-9 Cyclen phosphine oxide 

Downstream Products

• 162148-48-3 (7-tert-butoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid tert-butyl ester 
• 1415908-05-2 28,33-Dibenzyl-1,7,19,25,28,33-hexaazaheptacyclo[23.5.5.2^3,6.2^20,23.1^10,14.1^10,16.1^12,16]dotetraconta-3,5,20,22,36,41-hexaene 

Relevant articles and documents

An easy route towards regioselectively difunctionalized cyclens and new cryptands

Reductive amination of various aldehydes with cyclen represents a very convenient method for the synthesis of a wide range of 1,7-difunctionalized cyclens, as well as new cryptands. The Royal Society of Chemistry.

Definition of the Labile Capping Bond Effect in Lanthanide Complexes

Two macrocyclic ligands containing a cyclen unit, a methyl group, a picolinate arm, and two acetate pendant arms attached to two nitrogen atoms of the macrocycle either in trans (1,7-H3Medo2 ampa = 2,2′-(7-((6-carboxypyridin-2-yl)methyl)-10-met

Argentivorous molecules bearing two aromatic side-arms: Ag+-π and CH-π interactions in the solid state and in solution

Seven double-armed cyclens bearing two aromatic side-arms, at the 1- and 7-positions of the cyclens, were prepared via three steps from dimethyl 2,2′-iminodiacetate. The X-ray structures of the Ag+ complexes and Ag+-ion-induced 1H NMR spectral changes suggest that the two aromatic side-arms cover the Ag+ ions incorporated in the ligand cavities, as if the aromatic ring petals catch the Ag + ions in the way a real insectivorous plant (Venus flytrap) catches insects, using two leaves. It is also reported that the CH-π interactions between the aromatic side-arms, as well as the Ag+-π interactions, are crucial for double- and tetra-armed cyclens to work as argentivorous molecules.