1257316-37-2

Basic information

• Product Name: Na(2.2.2-cryptand)(Fe(α,α,.alpha,α-tetrakis(o-pivalamidophenyl)porphyrin)(NCO)
• CAS NO: 1257316-37-2
• Molecular Weight: 1506.61
• Mol File: 1257316-37-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Na(2.2.2-cryptand)(Fe(α,α,.alpha,α-tetrakis(o-pivalamidophenyl)porphyrin)(NCO)(CAS DataBase Reference)
• NIST Chemistry Reference: Na(2.2.2-cryptand)(Fe(α,α,.alpha,α-tetrakis(o-pivalamidophenyl)porphyrin)(NCO)(1257316-37-2)
• EPA Substance Registry System: Na(2.2.2-cryptand)(Fe(α,α,.alpha,α-tetrakis(o-pivalamidophenyl)porphyrin)(NCO)(1257316-37-2)

Safety Data

• Hazardous Substances Data: 1257316-37-2(Hazardous Substances Data)

Upstream product

• 124442-29-1 {(SO3CF3)(H2O)(α,α,α,α-tetrakis(o-pivalamidophenyl)porphinato)iron(III)} 
• 917-61-3 sodium isocyanate 
• 23978-09-8 [2.2.2]cryptande 

Relevant articles and documents

Synthesis, spectroscopic and structural characterization of the high-spin Fe(II) cyanato-N and thiocyanato-N "picket fence" porphyrin complexes

Two new iron(II) five-coordinated porphyrin complexes [Na(2,2,2-crypt)] [FeII(TpivPP)(NCO)] (1) (TpivPP = α,α,α,α- tetrakis(o-pivalamidophenyl) porphyrin known as picket fence porphyrin and 2,2,2-crypt is the cryptand-222) and [K(2,2,2-crypt)][FeII(TpivPP) (NCS)] (2) have been prepared and characterized. The UV-Vis and IR spectroscopic data are consistent with a cyanato-N and thiocyanato-N ferrous porphyrinates. The Mo?ssbauer data and the X-ray structural analysis indicate that the Fe(II) cation in 1 and 2 is high-spin (S = 2) and has the (dxy)2(dxz)1(dyz) 1(dz2)1(dx2-y2)1 ground state electronic configuration. For complex 1, the average equatorial iron-pyrrole N bond length (Fe-Np = 2.120(2) ), the distance between the iron and the 24-atom mean plane of the porphyrin ring (Fe-PC = 0.6805(7) ) and the distance between the iron and the plane made by the four pyrrole nitrogens (Fe-PN = 0.5923(12) ) are longer than those of complex 2 and similar five-coordinated Fe(II) high-spin porphyrinates. This is probably due to the significant electronic repulsion of the dx2-y2 and dxy orbitals by the negative charge of the pyrrole N atoms in case of 1.