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μ-Oxo-bis[tetrakis(t-butyl)phthalocyaninatoiron(III)]

  1. Ju-hyeon Lee,
  2. Deepak Bhattarai,
  3. Gyochang Keum

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01595

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Lee, J.-h., Bhattarai, D. and Keum, G. 2013. μ-Oxo-bis[tetrakis(t-butyl)phthalocyaninatoiron(III)]. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. Korea Institute of Science and Technology, Seoul, Korea

Publication History

  1. Published Online: 16 SEP 2013

Chemistry Terms

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Abstract

μ-oxo-bis[tetrakis(t-butyl)phthalocyaninatoiron(III)]

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[130177-29-6] C96H96Fe2N16O (MW 1600.7)

(catalyst for the oxidation of alcohols and aromatic hydrocarbons)

Alternate Names: [(t-Bu4)PcFe]2O; μ-oxo-bis[tetra-tert-butylphthalocyaninatoiron(III)]; μ-oxo-bis[2,9,16,23-tetrakis(1,1-dimethylethyl)-29H,31H-phthalocyaninato(2−)-κN,29κN,30κN,31κN32]diiron; μ-oxo-bis[tetra-tert-butylphthalocyanineiron(III)].

Physical Data: Blue-green solid; mp >260 °C; δFe = 0.36, 0.23 mm s−1, ΔEQ = −0.44, +1.38 mm s−1, Rel. contribution = 15, 85% (measured in Mössbauer parameters); λabs (log ɛ) 290 (4.68), 360 (4.69), 598 (sh) (4.19), 686 (4.75) nm; gmin value = 2.007.1-3

Solubility: soluble in many nonpolar or weakly polar solvents.4

Preparative Method: condensation of (t-butyl)phthalonitrile and FeCl2 using DBU in n-pentanol afforded a blue-green μ-oxo dimer [(t-Bu4)PcFe]2O in 87% yield and characterized by Mössbauer spectroscopy.1 Also[(t-Bu4)PcFe]2O can be prepared via high-temperature coupling between 4-t-butyl phthalonitrile and FeSO4·H2O3 or iron(II) acetate.5

Featured Compounds

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  1. 1 - 29
Compound Information
Molecular Weight:106.1219
Molecular Formula:C7H6O
InChIKey:HUMNYLRZRPPJDN-UHFFFAOYSA-N
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Compound Information
Molecular Weight:67.0892
Molecular Formula:C4H5N
InChIKey:KAESVJOAVNADME-UHFFFAOYSA-N
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Compound Information
Molecular Weight:620.7834
Molecular Formula:C44H36N4
InChIKey:JGASYZAOYXKYTC-UHFFFAOYSA-N
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Compound Information
Molecular Weight:227.004
Molecular Formula:C8Cl2N2O2
InChIKey:HZNVUJQVZSTENZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:1601.586
Molecular Formula:C96H96Fe2N16O
InChIKey:NBXZGKWTAXJNKD-UHFFFAOYSA-N
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Compound Information
Molecular Weight:114.0233
Molecular Formula:C2HF3O2
InChIKey:DTQVDTLACAAQTR-UHFFFAOYSA-N
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Compound Information
Molecular Weight:84.933
Molecular Formula:CH2Cl2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Molecular Weight:138.1638
Molecular Formula:C8H10O2
InChIKey:MSHFRERJPWKJFX-UHFFFAOYSA-N
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Compound Information
Molecular Weight:322.0964
Molecular Formula:C10H11IO4
InChIKey:ALSRTSXZMQADEF-UHFFFAOYSA-N
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Compound Information
Molecular Weight:136.1479
Molecular Formula:C8H8O2
InChIKey:ZRSNZINYAWTAHE-UHFFFAOYSA-N
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Compound Information
Molecular Weight:178.2292
Molecular Formula:C14H10
InChIKey:MWPLVEDNUUSJAV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:208.2121
Molecular Formula:C14H8O2
InChIKey:RZVHIXYEVGDQDX-UHFFFAOYSA-N
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Compound Information
Molecular Weight:92.1384
Molecular Formula:C7H8
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:740.087
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:180.2451
Molecular Formula:C14H12
InChIKey:WPDAVTSOEQEGMS-UHFFFAOYSA-N
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Compound Information
Molecular Weight:1631.592
Molecular Formula:C80H183N5O18S4
InChIKey:IGMBKNUVZFAHJM-UHFFFAOYSA-I
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Compound Information
Molecular Weight:132.2023
Molecular Formula:C10H12
InChIKey:CXWXQJXEFPUFDZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:162.1852
Molecular Formula:C10H10O2
InChIKey:FLXHWBQFTUIUSW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:146.1858
Molecular Formula:C10H10O
InChIKey:XHLHPRDBBAGVEG-UHFFFAOYSA-N
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Compound Information
Molecular Weight:122.1213
Molecular Formula:C7H6O2
InChIKey:VTWDKFNVVLAELH-UHFFFAOYSA-N
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Compound Information
Molecular Weight:136.234
Molecular Formula:C10H16
InChIKey:ORILYTVJVMAKLC-YNFQOJQRSA-N
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Compound Information
Molecular Weight:152.2334
Molecular Formula:C10H16O
InChIKey:VLLNJDMHDJRNFK-CHIWXEEVSA-N
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Compound Information
Molecular Weight:150.2176
Molecular Formula:C10H14O
InChIKey:IYKFYARMMIESOX-SPJNRGJMSA-N
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Compound Information
Molecular Weight:166.217
Molecular Formula:C10H14O2
InChIKey:XRDNWHRYHHULRF-WZXRXUJPSA-N
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Compound Information
Molecular Weight:150.2176
Molecular Formula:C10H14O
InChIKey:BYLLPDFBHUIPKF-KRBWIIOGSA-N
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Compound Information
Molecular Weight:176.1241
Molecular Formula:C6H8O6
InChIKey:CIWBSHSKHKDKBQ-JLAZNSOCSA-N
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Compound Information
Molecular Weight:79.0999
Molecular Formula:C5H5N
InChIKey:Not Available
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Compound Information
Molecular Weight:1743.786
Molecular Formula:C106H106Fe2N18
InChIKey:WLLOTLWXYXCFPZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:174.1082
Molecular Formula:C6H6O6
InChIKey:SBJKKFFYIZUCET-JLAZNSOCSA-N
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