CAS No.119654-64-7,MESO-TETRAPHENYL-TETRABENZOPORPHINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	119654-64-7
Name:	MESO-TETRAPHENYL-TETRABENZOPORPHINE
Article Data:	3

Formula:	C₆₀H₃₆N₄Pd
Molecular Weight:	919.393
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

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

: palladium dichloride

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

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.00833333h; Reflux;	80%

: 3375-31-3
palladium diacetate

: 80528-89-8
meso-tetraphenyltetrabenzoporphyrin

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

Conditions

Conditions	Yield
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%

: 80528-89-8
meso-tetraphenyltetrabenzoporphyrin

: palladium dichloride

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

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.0833333h; Reflux;	25%

: 114-70-5
sodium phenylacetate

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

Conditions

Conditions	Yield
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

: 103-82-2
phenylacetic acid

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

Conditions

Conditions	Yield
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

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

Conditions

Conditions	Yield
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

: 140-29-4
phenylacetonitrile

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

Conditions

Conditions	Yield
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

: 80528-89-8
meso-tetraphenyltetrabenzoporphyrin

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide 2: N,N-dimethyl-formamide / 0.01 h / Reflux View Scheme

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

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

Conditions

Conditions	Yield
With tetramethylammonium bromide In chloroform for 8h; Reflux; regioselective reaction;	63%

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

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

Conditions

Conditions	Yield
With bromine; tetramethylammonium bromide In chloroform for 4h; Reflux; regioselective reaction;	46%

Raw Materials

3375-31-3

80528-89-8

114-70-5

103-82-2

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- China (Mainland)(23)
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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