2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine

Base Information

• Chemical Name: 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine
• CAS No.: 2683-82-1
• Deprecated CAS: 106117-28-6,991-75-3,991-75-3
• Molecular Formula: C36H46N4
• Molecular Weight: 534.788
• Hs Code.: 29339900
• European Community (EC) Number: 220-243-8
• UNII: PD85YF7CEP
• DSSTox Substance ID: DTXSID2062589
• Nikkaji Number: J192.196G,J510.850K
• Wikipedia: Octaethylporphyrin
• Wikidata: Q27123291
• Mol file: 2683-82-1.mol

Synonyms:octaethylporphyrin

Chemical Property of 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine

Chemical Property:

• Appearance/Colour: Dark purple crystals or crystalline powder
• Vapor Pressure: 6.24E-25mmHg at 25°C
• Melting Point: 322 °C
• Refractive Index: 1.574
• Boiling Point: 649.8 °C at 760 mmHg
• Flash Point: 340.6 °C
• PSA: 56.30000
• Density: 1.1 g/cm³
• LogP: 6.56260
• Storage Temp.: -20°C
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 534.37224748
• Heavy Atom Count: 40
• Complexity: 725

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3,7,8,12,13,17,18-Octaethylporphyrin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• 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
• Uses: 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine (cas# 2683-82-1) porphyrin derivative, whose singlet and triplet energy transfer dynamics in axial porphyrin-anthracene complexes suggests it may play an important role in structures capable of photon upconversion.

Technology Process of 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine

There total 54 articles about 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

(2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(II) → 2,3,7,8,12,13,17,18-octaethyl-porphyrin (2683-82-1,106117-28-6,991-75-3)

Guidance literature:

With ethylene glycol; In trifluoroacetic acid; at 20 ℃; for 0.333333h;

Reference yield: 97.0%

2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine copper(II) → 2,3,7,8,12,13,17,18-octaethyl-porphyrin (2683-82-1,106117-28-6,991-75-3)

Guidance literature:

With ethylene glycol; In trifluoroacetic acid; at 20 ℃; for 0.166667h;

Reference yield: 90.0%

(E)-3-((1Z,4Z,9Z,15Z)-2,3,7,8,12,13,17,18-Octaethyl-porphyrin-5-yl)-acrylic acid methyl ester (67106-41-6) → 2,3,7,8,12,13,17,18-octaethyl-porphyrin (2683-82-1,106117-28-6,991-75-3)

Guidance literature:

With recorcinol; at 160 ℃; for 1h;

DOI:10.1016/S0040-4039(00)80099-4

upstream raw materials:

(3,4-diethyl-pyrrol-2-ylmethyl)-dimethyl-amine

ethylmagnesium bromide

3,3',4,4'-tetraethyl-2,2'-methylenedipyrrole-5,5'-dicarboxylic acid

octaethyl porphyrinogen

Refernces

• 1、 Li, Ruoshi,Zeller, Mathias,Bruhn, Torsten,Brückner, Christian. "Surprising Outcomes of Classic Ring-Expansion Conditions Applied to Octaethyloxochlorin, 3. Schmidt-Reaction Conditions". . p. 1835 - 1842. Retrieved 2017/04/21.
• 2、 Fletcher, Sarah J.,Harper, Shannon R.,Arnold, Dennis P.. "The exhaustive reduction of formylporphyrins to methylporphyrins using dimethylformamide/water as reductant under microwave irradiation". . p. 200 - 208. Retrieved 2014/05/20.