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CAS No.: | 2683-82-1 |
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Name: | 2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C36H46N4 |
Molecular Weight: | 534.788 |
Synonyms: | 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine;21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-; |
EINECS: | 220-243-8 |
Density: | 1.1 g/cm3 |
Melting Point: | 322 °C |
Boiling Point: | 649.8 °C at 760 mmHg |
Flash Point: | 340.6 °C |
Appearance: | Dark purple crystals or crystalline powder |
Safety: | 24/25-22 |
PSA: | 56.30000 |
LogP: | 6.56260 |
2,3,7,8,12,13,17,18-octaethyl-porphyrin
Conditions | Yield |
---|---|
With ethylene glycol In trifluoroacetic acid at 20℃; for 0.333333h; | 97% |
2,3,7,8,12,13,17,18-octaethyl-porphyrin
Conditions | Yield |
---|---|
With ethylene glycol In trifluoroacetic acid at 20℃; for 0.166667h; | 97% |
With sulfuric acid In water; acetic acid at 24.85℃; Kinetics; | |
With trifluoroacetic acid In acetic acid at 34.85 - 54.85℃; Kinetics; Activation energy; |
(E)-3-((1Z,4Z,9Z,15Z)-2,3,7,8,12,13,17,18-Octaethyl-porphyrin-5-yl)-acrylic acid methyl ester
2,3,7,8,12,13,17,18-octaethyl-porphyrin
Conditions | Yield |
---|---|
With recorcinol at 160℃; for 1h; | 90% |
formaldehyd
5',5'-Bis(methoxycarbonyl)-3,3',4,4'-tetraethylpyrromethane
2,3,7,8,12,13,17,18-octaethyl-porphyrin
Conditions | Yield |
---|---|
With air; lithium chloride In dimethyl sulfoxide at 200 - 210℃; for 2h; | 67% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In water; benzene for 8h; Dean-Stark; Reflux; Inert atmosphere; | 66.4% |
In acetic acid for 1h; Heating; Yield given; | |
With oxygen; toluene-4-sulfonic acid 1.) benzene, 55 deg C, 15 h, 2.) r.t.; Yield given. Multistep reaction; | |
With cetyltrimethylammonium chloride In methanol; aq. phosphate buffer at 25℃; for 24h; pH=7; Reagent/catalyst; Time; Sealed tube; |
octaethylporphyrin N-oxide
2,3,7,8,12,13,17,18-octaethyl-porphyrin
Conditions | Yield |
---|---|
With phosphorus trichloride In chloroform at 50℃; for 0.0833333h; further reagent; | 61% |
2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin
phenylmethanethiol
2,3,7,8,12,13,17,18-octaethyl-porphyrin
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 40℃; for 72h; | 49% |
B
2,3,7,8,12,13,17,18-octaethyl-porphyrin
C
5-formyl-2,3,7,8,12,13,18,19-octaethylporphyrin
Conditions | Yield |
---|---|
With sulfuric acid at 50℃; for 0.333333h; | A 7% B 6.5% C 5% D 48% |
A
octaethylbacteriochlorin
B
2,3,7,8,12,13,17,18-octaethyl-porphyrin
D
2,3,7,8,12,13,17,18-octaethyl-2,3-dihydro-porphyrin
Conditions | Yield |
---|---|
With sodium In i-Amyl alcohol at 135℃; for 1.5h; | A n/a B n/a C 40% D n/a |
B
2,3,7,8,12,13,17,18-octaethyl-porphyrin
Conditions | Yield |
---|---|
With sodium azide; sulfuric acid at 130℃; for 2h; Schmidt Reaction; | A 23% B 16% |
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Molecule structure of Octaethylporphine (CAS NO.2683-82-1):
IUPAC Name: 2,3,7,8,12,13,17,18-Octaethyl-21,22-dihydroporphyrin
Molecular Weight: 534.77724 g/mol
Molecular Formula: C36H46N4
Density: 1.1 g/cm3
Melting Point: 322 °C
Boiling Point: 649.8 °C at 760 mmHg
Flash Point: 340.6 °C
Index of Refraction: 1.609
Molar Refractivity: 166.45 cm3
Molar Volume: 480.5 cm3
Surface Tension: 37.5 dyne/cm
Enthalpy of Vaporization: 92.31 kJ/mol
Vapour Pressure: 4.69E-16 mmHg at 25 °C
XLogP3-AA: 8.5
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 534.372247
MonoIsotopic Mass: 534.372247
Topological Polar Surface Area: 57.4
Heavy Atom Count: 40
Canonical SMILES: CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C=C3CC)CC)CC
InChI: InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-38H,9-16H2,1-8H3
InChIKey: XFIIGRBIXXECHR-UHFFFAOYSA-N
EINECS: 220-243-8
Product Categories: Porphyrins; Synthetic Porphyrins; Biochemistry
Octaethylporphine (CAS NO.2683-82-1) can be used in polypropylene, polyester filament yarn and other synthetic oils. There are anti-static, emulsion, soft, rust and other properties.
Safety Statements: 24/25-22
S24/25:Avoid contact with skin and eyes.
S22:Do not breathe dust.
Octaethylporphine (CAS NO.2683-82-1) is also named as 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine ; 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl- . Octaethylporphine (CAS NO.2683-82-1) is dark purple crystals or crystalline powder.