1620093-99-3

Basic information

• Product Name: C₅₂H₄₀Br₁₀N₄O₄Zn
• CAS NO: 1620093-99-3
• Molecular Weight: 1649.34
• Mol File: 1620093-99-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₅₂H₄₀Br₁₀N₄O₄Zn(CAS DataBase Reference)
• NIST Chemistry Reference: C₅₂H₄₀Br₁₀N₄O₄Zn(1620093-99-3)
• EPA Substance Registry System: C₅₂H₄₀Br₁₀N₄O₄Zn(1620093-99-3)

Safety Data

• Hazardous Substances Data: 1620093-99-3(Hazardous Substances Data)

Upstream product

• 128-08-5 N-Bromosuccinimide 
• 19414-67-6 5,10,15,20-tetrakis(4-methylphenyl)porphyrinatozinc(II) 

Relevant articles and documents

Pitfalls in bromination reactions of zinc porphyrins: Two-sided ring opening of the porphyrin macrocycle

Reaction of [ZnII(TTP)] (1) (TTP = dianion of 5,10,15,20-meso-tetrakis(p-tolyl)porphyrin) with 16 equiv of N-bromosuccinamide (NBS) in methanol at reflux led to the unexpected two-sidedd open-ring brominated product [ZnII(C26H20N 2O2Br5)2] (2). Similar observations have been made with other meso-substituted zinc porphyrins as well [Zn II(por)] {por = dianion of 5,10,15,20-meso-tetrakis(aryl)porphyrin; aryl = phenyl (TPP), p-tBu-phenyl (TBPP), m-Cl-phenyl (TClPP)}. The respective products [ZnII(C24H16N 2O2Br5)2] (3), [Zn II(C32H32N2O2Br 5)2] (4), and [ZnII(C24H 14N2O2Cl2Br5) 2] (5) have been isolated in good to moderate yields and characterized by elemental analysis and UV-vis, 1H NMR, and mass spectrometry. Additional bromination reaction of 1 with 8 equiv of NBS in a chloroform/methanol mixture led (after the two-sided ring opening) to nonmetalated brominated bi(pyrrole) product, C36H34N 2O4Br4 (6). The detailed structures of complexes 1, 2, 3, and 6, available in a single crystal form, have been confirmed by X-ray diffraction analysis.