1258542-44-7

Basic information

• Product Name: C₄₅H₄₈N₁₀O₁₂
• CAS NO: 1258542-44-7
• Molecular Weight: 920.936
• Mol File: 1258542-44-7.mol

Chemical Properties

• CAS DataBase Reference: C₄₅H₄₈N₁₀O₁₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₄₅H₄₈N₁₀O₁₂(1258542-44-7)
• EPA Substance Registry System: C₄₅H₄₈N₁₀O₁₂(1258542-44-7)

Safety Data

• Hazardous Substances Data: 1258542-44-7(Hazardous Substances Data)

Upstream product

• 613682-12-5 NH₂CH₂CH₂N(CH₂CH₂NHCH₂C₆H₄OCH₂CH₂)2O 
• 100-28-7 4-Nitrophenyl isocyanate 
• 4097-89-6 2,2',2''-triaminotriethylamine 
• 82645-24-7 1,5-bis(benzaldehydeoxy)-3-oxopentane 

Relevant articles and documents

Novel emissive phenylurea-based macrocyclic chemosensor: Synthesis, fluorescent and complexation studies

A new emissive macrocycle ligand bearing three phenylurea groups (L 1) has been synthesized and fully characterised. Several mononuclear complexes with nitrate, perchlorate and tetrafluoroborate salts of transition and post-transition metals (Cu2+, Ni2+, Co2+, Zn2+ and Cd2+) were synthesized and characterised. For comparative purposes, the coordination ability of two nonfluorescent macrocyclic ligands (L2 and L3) containing three nitrophenylurea pendant-arms towards the same metal ions were studied. The interaction with transition and post-transition metal ions, and anions was explored in solution by UV-Vis and emission spectroscopy with ligand L1. All new compounds were characterised by microanalysis, IR, UV-Vis and fluorescence emission, FAB and ESI mass spectrometry and conductivity measurements.

Anion sensing properties of new colorimetric chemosensors based on macrocyclic ligands bearing three nitrophenylurea groups

Two new colorimetric ligands (1-2) based on macrocyclic structures linked to three nitrophenylurea groups were synthesized in good yields, and their responses toward anions were studied. Anions with different shape, such as of fluoride, chloride, bromide, iodide, hydroxide, nitrate, perclhorate, cyanide, or dihydrogen phosphate in DMSO solution were added and only fluoride, hydroxide, cyanide, and dihydrogen phosphate enhances π delocalization and shifts the π-π* transition in both ligands, leading to the generation of a pleasant orange color. The result is a balance between the acidity of the nitrophenylurea-NH donors modulated by the basic character of the anions. Stability constants for both receptors and the anions fluoride, hydroxide, cyanide, and dihydrogen phosphate were determined spectrophotometrically using the program HYSPEC. 1H NMR titrations experiments with fluoride were carried out.