Product Name

  • Name

    MESO-TETRAPHENYL-TETRABENZOPORPHINE

  • EINECS
  • CAS No. 119654-64-7
  • Article Data3
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point
  • Formula C60H36N4Pd
  • Boiling Point
  • Molecular Weight 919.393
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 119654-64-7 (MESO-TETRAPHENYL-TETRABENZOPORPHINE)
  • Hazard Symbols
  • Synonyms Palladium,[6,13,20,27-tetraphenyl-29H,31H-tetrabenzo[b,g,l,q]porphinato(2-)-N29,N30,N31,N32]-,(SP-4-1)-;29H,31H-Tetrabenzo[b,g,l,q]porphine, 6,13,20,27-tetraphenyl-,palladium complex;29H,31H-Tetrabenzo[b,g,l,q]porphine, palladium deriv.;meso-Tetraphenyl-tetrabenzoporphine;
  • PSA 50.50000
  • LogP 10.32900

Synthetic route

cadmium(II) 5,10,15,20-tetraphenyl tetrabenzoporphyrinate
80529-83-5

cadmium(II) 5,10,15,20-tetraphenyl tetrabenzoporphyrinate

palladium dichloride

palladium dichloride

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 0.00833333h; Reflux;80%
palladium diacetate
3375-31-3

palladium diacetate

meso-tetraphenyltetrabenzoporphyrin
80528-89-8

meso-tetraphenyltetrabenzoporphyrin

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

Conditions
ConditionsYield
In dichloromethane; N,N-dimethyl-formamide at 150℃; for 1h;64%
In dichloromethane; N,N-dimethyl-formamide at 150℃; for 0.75h; Inert atmosphere;47.9%
meso-tetraphenyltetrabenzoporphyrin
80528-89-8

meso-tetraphenyltetrabenzoporphyrin

palladium dichloride

palladium dichloride

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 0.0833333h; Reflux;25%
sodium phenylacetate
114-70-5

sodium phenylacetate

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: water / pH 3.0
2: melt / 1 h / 360 °C / Inert atmosphere
3: hydrogenchloride / dichloromethane; water / 0.5 h
4: dichloromethane; N,N-dimethyl-formamide / 0.75 h / 150 °C / Inert atmosphere
View Scheme
phenylacetic acid
103-82-2

phenylacetic acid

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: sodium hydroxide / water / pH 8.0
2: water / pH 3.0
3: melt / 1 h / 360 °C / Inert atmosphere
4: hydrogenchloride / dichloromethane; water / 0.5 h
5: dichloromethane; N,N-dimethyl-formamide / 0.75 h / 150 °C / Inert atmosphere
View Scheme
Multi-step reaction with 3 steps
1: 1 h / 360 °C / Inert atmosphere
2: hydrogenchloride / dichloromethane; water / 0.75 h
3: dichloromethane; N,N-dimethyl-formamide / 1 h / 150 °C
View Scheme
zinc(II) phenylacetate

zinc(II) phenylacetate

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: melt / 1 h / 360 °C / Inert atmosphere
2: hydrogenchloride / dichloromethane; water / 0.5 h
3: dichloromethane; N,N-dimethyl-formamide / 0.75 h / 150 °C / Inert atmosphere
View Scheme
phenylacetonitrile
140-29-4

phenylacetonitrile

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium hydroxide / water / 5 h / 115 - 120 °C / Inert atmosphere
2: 1 h / 360 °C / Inert atmosphere
3: hydrogenchloride / dichloromethane; water / 0.75 h
4: dichloromethane; N,N-dimethyl-formamide / 1 h / 150 °C
View Scheme
meso-tetraphenyltetrabenzoporphyrin
80528-89-8

meso-tetraphenyltetrabenzoporphyrin

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: N,N-dimethyl-formamide
2: N,N-dimethyl-formamide / 0.01 h / Reflux
View Scheme
palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

palladium 2-bromo-6,13,20,27-tetraphenyltetrabenzo[b:g:l:q]porphyrin
1215023-72-5

palladium 2-bromo-6,13,20,27-tetraphenyltetrabenzo[b:g:l:q]porphyrin

Conditions
ConditionsYield
With tetramethylammonium bromide In chloroform for 8h; Reflux; regioselective reaction;63%
palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

(22,23,72,73,122,123,172,173-octabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)
1123832-45-0

(22,23,72,73,122,123,172,173-octabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)

Conditions
ConditionsYield
With bromine; tetramethylammonium bromide In chloroform for 4h; Reflux; regioselective reaction;46%
palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

bromine
7726-95-6

bromine

tetramethylammonium bromide
64-20-0

tetramethylammonium bromide

(22,23,72,73,122,123,172-heptabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)

(22,23,72,73,122,123,172-heptabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)

(22,23,72,73,122,123,172,173-octabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)
1123832-45-0

(22,23,72,73,122,123,172,173-octabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)

Conditions
ConditionsYield
In chloroform soln. of Me4NBr in CHCl3 stirred for 10 min; excess of Br2 added; mixt. stirred for 20 min; soln. of Pd complex in CHCl3 added; mixt. heated for2 h with stirring under reflux; cooled to room temp.; washed (Na2S2O3, H2O, satd. NaCl); dried; evapd. ...; cooled to room temp.; washed (Na2S2O3, H2O, satd. NaCl); org. phase dried (Na2SO4); evapd.; monitored by NMR spectroscopy, mass spectroscopy;A n/a
B 43%
palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate
119654-64-7

palladium(II) 5,10,15,20-tetraphenyltetrabenzoporphyrinate

(22,23,72,73,122,123,172-heptabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)

(22,23,72,73,122,123,172-heptabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)

(22,23,72,73,122,123,172,173-octabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)
1123832-45-0

(22,23,72,73,122,123,172,173-octabromo-5,10,15,20-tetraphenyltetrabenzoporphyrinato)palladium(II)

Conditions
ConditionsYield
With bromine; tetramethylammonium bromide In chloroform for 4h; Reflux; regioselective reaction;

meso-Tetraphenyl-tetrabenzoporphine Specification

With the CAS registry number 119654-64-7, meso-Tetraphenyl-tetrabenzoporphine is also named as 29H,31H-Tetrabenzo[b,g,l,q]porphine, 6,13,20,27-tetraphenyl-,palladium complex. The product's categories are Nitric Oxide and Oxygen Probes; Oxygen Probes; Fluorescent Indicators and Probes. In addition, its molecular formula is C60H36N4Pd and molecular weight is 919.392.

The other characteristics of meso-Tetraphenyl-tetrabenzoporphine can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 4; (4)Exact Mass: 918.19748; (5)MonoIsotopic Mass: 918.19748; (6)Topological Polar Surface Area: 26.7; (7)Heavy Atom Count: 65; (8)Complexity: 1690.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc(cc1)/c/2c\3/nc(/c(c/4\n5/c(c(\c-6n/c(c(\c7n(c2c8c7cccc8)[Pd]5)/c9ccccc9)/c1c6cccc1)/c1ccccc1)/c1c4cccc1)/c1ccccc1)-c1c3cccc1
(2)InChI: InChI=1/C60H36N4.Pd/c1-5-21-37(22-6-1)49-53-41-29-13-15-31-43(41)55(61-53)50(38-23-7-2-8-24-38)57-45-33-17-19-35-47(45)59(63-57)52(40-27-11-4-12-28-40)60-48-36-20-18-34-46(48)58(64-60)51(39-25-9-3-10-26-39)56-44-32-16-14-30-42(44)54(49)62-56;/h1-36H;/q-2;+2/b53-49-,54-49-,55-50-,56-51-,57-50-,58-51-,59-52-,60-52-;/rC60H36N4Pd/c1-5-21-37(22-6-1)49-53-41-29-13-14-30-42(41)54(61-53)50(38-23-7-2-8-24-38)59-47-35-19-20-36-48(47)60-52(40-27-11-4-12-28-40)56-44-32-16-15-31-43(44)55(62-56)51(39-25-9-3-10-26-39)58-46-34-18-17-33-45(46)57(49)63(58)65-64(59)60/h1-36H/b53-49-,54-50-,55-51-,56-52-,57-49-,58-51-,59-50-,60-52-
(3)InChIKey: WOKKIHAKMSHWEZ-JSLFJNJLBC

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