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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

Featured Compounds

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  1. 1 - 29
Compound Information
Drug synonym:Not Available
Molecular Weight:106.1219
Molecular Formula:C7H6O
SMILES:[H]C(=O)C1=CC=CC=C1
InChI:1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey:HUMNYLRZRPPJDN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:67.0892
Molecular Formula:C4H5N
SMILES:N1C=CC=C1
InChI:1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKey:KAESVJOAVNADME-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:620.7834
Molecular Formula:C44H36N4
SMILES:[H]C1(C2=CC=C(N2)C([H])(C2=CC=C(N2)C([H])(C2=CC=C(N2)C([H])(C2=CC=C1N2)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C44H36N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,41-48H
InChIKey:JGASYZAOYXKYTC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:227.004
Molecular Formula:C8Cl2N2O2
SMILES:ClC1=C(Cl)C(=O)C(C#N)=C(C#N)C1=O
InChI:1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13
InChIKey:HZNVUJQVZSTENZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1601.586
Molecular Formula:C96H96Fe2N16O
SMILES:CC(C)(C)c1ccc2\C3=N\c4n5[Fe](O[Fe]6n7c8\N=C9/N=C(/N=c%10\n6\c(=N/C6=N/C(=N\c7c7cc(ccc87)C(C)(C)C)/c7ccc(cc67)C(C)(C)C)c6ccc(cc%106)C(C)(C)C)c6ccc(cc96)C(C)(C)C)n6\c(=N/C(=N3)c2c1)c1ccc(cc1\c6=N\C1=N\C(=N/c5c2ccc(cc42)C(C)(C)C)\c2cc(ccc12)C(C)(C)C)C(C)(C)C
InChI:1S/2C48H48N8.2Fe.O/c2*1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;;;/h2*13-24H,1-12H3;;;/q2*-2;2*+2;
InChIKey:NBXZGKWTAXJNKD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.0233
Molecular Formula:C2HF3O2
SMILES:OC(=O)C(F)(F)F
InChI:1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey:DTQVDTLACAAQTR-UHFFFAOYSA-N
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Compound Information
Drug synonym:methylene chloride, methylene dichloride
Molecular Weight:84.933
Molecular Formula:CH2Cl2
SMILES:ClCCl
InChI:1S/CH2Cl2/c2-1-3/h1H2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.1638
Molecular Formula:C8H10O2
SMILES:COC1=CC=C(CO)C=C1
InChI:1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKey:MSHFRERJPWKJFX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:322.0964
Molecular Formula:C10H11IO4
SMILES:CC(C)OC(=O)c1ccccc1[I](=O)=O
InChI:1S/C10H11IO4/c1-7(2)15-10(12)8-5-3-4-6-9(8)11(13)14/h3-7H,1-2H3
InChIKey:ALSRTSXZMQADEF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.1479
Molecular Formula:C8H8O2
SMILES:[H]C(=O)C1=CC=C(OC)C=C1
InChI:1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey:ZRSNZINYAWTAHE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.2292
Molecular Formula:C14H10
SMILES:C1=CC2=CC3=CC=CC=C3C=C2C=C1
InChI:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
InChIKey:MWPLVEDNUUSJAV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:208.2121
Molecular Formula:C14H8O2
SMILES:O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2
InChI:1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey:RZVHIXYEVGDQDX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1384
Molecular Formula:C7H8
SMILES:CC1=CC=CC=C1
InChI:1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:740.087
Molecular Formula:Not Available
SMILES:*O[I](O[I](O[I](OS(*)(=O)=O)c1ccccc1)c1ccccc1)c1ccccc1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2451
Molecular Formula:C14H12
SMILES:[CH2:7]1[C:4]2=[CH:3][CH:2]=[CH:1][CH:6]=[C:5]2[CH2:10][C:9]2=[C:8]1[CH:11]=[CH:12][CH:13]=[CH:14]2
InChI:1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2
InChIKey:WPDAVTSOEQEGMS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1631.592
Molecular Formula:C80H183N5O18S4
SMILES:OS([O-])(=O)=O.[O-]S([O-])(=O)=O.OS(=O)(=O)O[O-].OS(=O)(=O)O[O-].CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
InChI:1S/5C16H36N.2H2O5S.2H2O4S/c5*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-5-6(2,3)4;2*1-5(2,3)4/h5*5-16H2,1-4H3;2*1H,(H,2,3,4);2*(H2,1,2,3,4)/q5*+1;;;;/p-5
InChIKey:IGMBKNUVZFAHJM-UHFFFAOYSA-I
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.2023
Molecular Formula:C10H12
SMILES:C1CCC2=CC=CC=C2C1
InChI:1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
InChIKey:CXWXQJXEFPUFDZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.1852
Molecular Formula:C10H10O2
SMILES:OC1=CC=C(O)C2=C1CCC=C2
InChI:1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1,3,5-6,11-12H,2,4H2
InChIKey:FLXHWBQFTUIUSW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:146.1858
Molecular Formula:C10H10O
SMILES:O=C1CCCC2=C1C=CC=C2
InChI:1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
InChIKey:XHLHPRDBBAGVEG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:122.1213
Molecular Formula:C7H6O2
SMILES:CC1=CC(=O)C=CC1=O
InChI:1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey:VTWDKFNVVLAELH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.234
Molecular Formula:C10H16
SMILES:[H][C@@:4]12[CH2:1][C@@:2]3([H])[CH2:3][C@@:8]([H])([CH2:5]1)[CH2:10][C@@:9]([H])([CH2:7]2)[CH2:6]3
InChI:1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+
InChIKey:ORILYTVJVMAKLC-YNFQOJQRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2334
Molecular Formula:C10H16O
SMILES:[H][C@:3]12[CH2:2][C@:1]3([H])[CH2:6][C@:5]([H])([CH2:4]1)[CH2:10][C@:8](O)([CH2:7]2)[CH2:9]3
InChI:1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2/t7-,8+,9-,10-
InChIKey:VLLNJDMHDJRNFK-CHIWXEEVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.2176
Molecular Formula:C10H14O
SMILES:[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(=O)[C@@]([H])(C2)C3
InChI:1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+
InChIKey:IYKFYARMMIESOX-SPJNRGJMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.217
Molecular Formula:C10H14O2
SMILES:O[C@]12C[C@H]3C[C@H](C[C@H](C3)C1=O)C2
InChI:1S/C10H14O2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-8,12H,1-5H2/t6-,7+,8-,10-
InChIKey:XRDNWHRYHHULRF-WZXRXUJPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.2176
Molecular Formula:C10H14O
SMILES:O=C1C[C@@H]2C[C@H]3C[C@@H](C2)C1C3
InChI:1S/C10H14O/c11-10-5-7-1-6-2-8(3-7)9(10)4-6/h6-9H,1-5H2/t6-,7+,8-,9?/m0/s1
InChIKey:BYLLPDFBHUIPKF-KRBWIIOGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:176.1241
Molecular Formula:C6H8O6
SMILES:[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO
InChI:1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChIKey:CIWBSHSKHKDKBQ-JLAZNSOCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:79.0999
Molecular Formula:C5H5N
SMILES:C1=CC=NC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:1743.786
Molecular Formula:C106H106Fe2N18
SMILES:c1ccncc1.c1ccncc1.CC(C)(C)c1ccc2\C3=N\c4n5[Fe]n6\c(=N/C(=N3)c2c1)c1ccc(cc1\c6=N\C1=N\C(=N/c5c2ccc(cc42)C(C)(C)C)\c2cc(ccc12)C(C)(C)C)C(C)(C)C.CC(C)(C)c1ccc2\C3=N\c4n5[Fe]n6\c(=N/C(=N3)c2c1)c1ccc(cc1\c6=N\C1=N\C(=N/c5c2ccc(cc42)C(C)(C)C)\c2cc(ccc12)C(C)(C)C)C(C)(C)C
InChI:1S/2C48H48N8.2C5H5N.2Fe/c2*1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;2*1-2-4-6-5-3-1;;/h2*13-24H,1-12H3;2*1-5H;;/q2*-2;;;2*+2
InChIKey:WLLOTLWXYXCFPZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.1082
Molecular Formula:C6H6O6
SMILES:[H][C@](O)(CO)[C@@]1([H])OC(=O)C(=O)C1=O
InChI:1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1
InChIKey:SBJKKFFYIZUCET-JLAZNSOCSA-N
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