PROTOPORPHYRINATO ZINC

Base Information

• Chemical Name: PROTOPORPHYRINATO ZINC
• CAS No.: 15442-64-5
• Molecular Formula: C34H30 N4 O4 Zn . 2 H
• Molecular Weight: 626.042
• European Community (EC) Number: 239-455-7
• Wikipedia: Zinc_protoporphyrin
• NCI Thesaurus Code: C123793
• Mol file: 15442-64-5.mol

Synonyms:Protoporphyrin,zinc deriv. (6CI); Zinc, [dihydrogen3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-)]- (8CI); Zinc,[dihydrogen protoporphyrin IX-ato(2-)]- (7CI); Zincate(2-),[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]-,dihydrogen, (SP-4-2)-; Zincate(2-),[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-4-2)-(9CI); 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-,zinc complex; Zinc protoporphyrin; Zinc protoporphyrin IX; Zinc(II)protoporphyrin IX

Chemical Property of PROTOPORPHYRINATO ZINC

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1128.5°Cat760mmHg
• Flash Point: 636.3°C
• PSA: 109.18000
• Density: g/cm³
• LogP: 3.60970
• Storage Temp.: Store at RT
• Water Solubility.: Insoluble in water. Soluble in ethanol, and DMSO, pyridine, or dimethyl formamide.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 624.171497
• Heavy Atom Count: 43
• Complexity: 1580

Purity/Quality:

98%min ^*data from raw suppliers

ZincProtoporphyrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.[Zn+2]
• General Description: **Protoporphyrinato zinc** is a zinc complex of protoporphyrin IX, characterized by its metalloporphyrin structure, where zinc coordinates with the porphyrin ring. Resonance Raman studies indicate that its vibrational frequencies correlate with the porphyrin core size, consistent with trends observed for other metalloporphyrins like Mn, Co, Fe, and Ni derivatives. The complex exhibits high-frequency skeletal modes inversely related to core size, with deviations potentially arising from electronic effects such as doming or low-valent states. These properties make it a useful reference for understanding heme protein photoproducts and metalloporphyrin structural dynamics.

Technology Process of PROTOPORPHYRINATO ZINC

There total 6 articles about PROTOPORPHYRINATO ZINC 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: 80.0%

zinc(II) acetate dihydrate (5970-45-6) + protoporphyrin IX (553-12-8) → zinc protoporphyrin (15442-64-5)

Guidance literature:

In N,N-dimethyl-formamide; for 2h; Reflux;

DOI:10.1016/j.ica.2017.06.069

Reference yield:

protoporphyrin IX (553-12-8) → zinc protoporphyrin (15442-64-5)

Guidance literature:

With zinc(II) chloride; In dichloromethane; water; for 2h; Sonication;

DOI:10.5012/bkcs.2010.31.6.1633

Reference yield:

zinc diacetate (557-34-6) + protoporphyrin IX (553-12-8) → zinc protoporphyrin (15442-64-5)

Guidance literature:

In dimethyl sulfoxide; at 60 ℃; for 24h;

DOI:10.3390/jpm11020136

upstream raw materials:

protoporphyrin IX

protoporphyrin IX

zinc(II) acetate dihydrate

protoporphyrin IX

Refernces

Metalloporphyrin Core Size Resonance Raman Marker Bands Revisited: Implications for the Interpretation of Hemoglobin Photoproduct Raman Frequencies

10.1021/ja00247a009

The study explores the resonance Raman spectra of various metalloporphyrin derivatives, focusing on the correlation between core size and high-frequency skeletal mode frequencies. It was found that these correlations, which inversely relate core size to mode frequency, apply to Mn, Co, Zn, Fe, and Ni species, with slight revisions to previously determined coefficients. Deviations were noted for certain complexes, particularly low-valent five-coordinate adducts, which may be due to electronic effects such as porphyrin doming. The study also observed a core-size dependence for the "oxidation-state marker" v4, with low-valent Fe, Mn, and Co species showing negative deviations. Additionally, the research confirmed the core-size correlations for planar high-spin Fe" species and extended the analysis to metallo TPP's, noting differences in slopes and intercepts due to altered normal mode compositions. An unusual enhancement of anomalously polarized modes in ClMn"'TPP upon Soret band excitation was also reported, suggesting a mixing of charge transfer and T-T* transitions. The findings have implications for understanding the structural basis of heme proteins and their photoproducts.