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Octaethylporphine

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Name

Octaethylporphine

EINECS 220-243-8
CAS No. 2683-82-1 Density 1.1 g/cm3
PSA 56.30000 LogP 6.56260
Solubility N/A Melting Point 322 °C
Formula C36H46N4 Boiling Point 649.8 °C at 760 mmHg
Molecular Weight 534.788 Flash Point 340.6 °C
Transport Information N/A Appearance Dark purple crystals or crystalline powder
Safety 24/25-22 Risk Codes N/A
Molecular Structure Molecular Structure of 2683-82-1 (2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE) Hazard Symbols N/A
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-;

Article Data 47

Octaethylporphine Synthetic route

(2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(II)

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

Conditions
ConditionsYield
With ethylene glycol In trifluoroacetic acid at 20℃; for 0.333333h;97%

2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine copper(II)

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

Conditions
ConditionsYield
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;
67106-41-6

(E)-3-((1Z,4Z,9Z,15Z)-2,3,7,8,12,13,17,18-Octaethyl-porphyrin-5-yl)-acrylic acid methyl ester

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

Conditions
ConditionsYield
With recorcinol at 160℃; for 1h;90%
50-00-0

formaldehyd

159427-98-2

5',5'-Bis(methoxycarbonyl)-3,3',4,4'-tetraethylpyrromethane

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

Conditions
ConditionsYield
With air; lithium chloride In dimethyl sulfoxide at 200 - 210℃; for 2h;67%
16200-52-5

3,4-diethyl-1H-pyrrole

50-00-0

formaldehyd

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

Conditions
ConditionsYield
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;
67514-01-6

octaethylporphyrin N-oxide

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

Conditions
ConditionsYield
With phosphorus trichloride In chloroform at 50℃; for 0.0833333h; further reagent;61%
96314-15-7

2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin

100-53-8

phenylmethanethiol

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

Conditions
ConditionsYield
With triethylamine In dichloromethane at 40℃; for 72h;49%

(trans-2,3,7,8,12,13,17,18-octaethyl-5-formylchlorinato)nickel(II)

A

2,3,7,8,12,13,17,18-octaethyl-2,3-dihydro-porphyrin

B

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

C

10250-36-9

5-formyl-2,3,7,8,12,13,18,19-octaethylporphyrin

(1Z,5E,9Z,14Z)-(2R,3R)-2,3,7,8,12,13,17,18-Octaethyl-2,3,22,24-tetrahydro-porphine-5-carbaldehyde

Conditions
ConditionsYield
With sulfuric acid at 50℃; for 0.333333h;A 7%
B 6.5%
C 5%
D 48%
Fe(octaethylporphyrin)Cl

Fe(octaethylporphyrin)Cl

A

23016-64-0

octaethylbacteriochlorin

B

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

C

octaethylisobacteriochlorin

D

22862-60-8

2,3,7,8,12,13,17,18-octaethyl-2,3-dihydro-porphyrin

Conditions
ConditionsYield
With sodium In i-Amyl alcohol at 135℃; for 1.5h;A n/a
B n/a
C 40%
D n/a

3,3,7,8,12,13,17,18-octaethyl-22,24-dihydro-3H-porphyrin-2-one

A

heptaethyl-3-hydroxy-2-oxochlorin

B

2683-82-1

2,3,7,8,12,13,17,18-octaethyl-porphyrin

Conditions
ConditionsYield
With sodium azide; sulfuric acid at 130℃; for 2h; Schmidt Reaction;A 23%
B 16%

Octaethylporphine Chemical Properties

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 Uses

 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.

Octaethylporphine Safety Profile

Safety Statements: 24/25-22 
S24/25:Avoid contact with skin and eyes. 
S22:Do not breathe dust.

Octaethylporphine Specification

 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.

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