2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin

Base Information

• Chemical Name: 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
• CAS No.: 121399-88-0
• Molecular Formula: C₄₄H₂F₂₈N₄
• Molecular Weight: 1118.48
• DSSTox Substance ID: DTXSID50432473
• Mol file: 121399-88-0.mol

Synonyms:CID 9898400;2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin;DTXSID50432473;MFCD10000962

Chemical Property of 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin

Chemical Property:

• PSA: 56.30000
• LogP: 11.39340
• XLogP3: 12.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 4
• Exact Mass: 1117.9832346
• Heavy Atom Count: 76
• Complexity: 1860

Purity/Quality:

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

2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C2C(=C(C(=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C1N5)F)F)C6=C(C(=C(C(=C6F)F)F)F)F)C(=C4F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C(=C3F)F)C8=C(C(=C(C(=C8F)F)F)F)F)N2)F)F)C9=C(C(=C(C(=C9F)F)F)F)F
• Uses: 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin is a component of blood test and lithium detection kits.

Technology Process of 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin

There total 3 articles about 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin 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: 21.0%

→ 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin (121399-88-0)

Guidance literature:

Reference yield:

perfluorobenzaldehyde (653-37-2) + 3,4-difluoro-1H-pyrrole (120047-51-0) → 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin (121399-88-0) + C66H4F42N6 + C77H4F49N7 + C88H4F56N8

Guidance literature:

perfluorobenzaldehyde; 3,4-difluoro-1H-pyrrole; With boron trifluoride diethyl etherate; In dichloromethane; for 8h;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; for 10h;

DOI:10.1002/anie.200390058

Reference yield:

perfluorobenzaldehyde (653-37-2) + 3,4-difluoro-1H-pyrrole (120047-51-0) → 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin (121399-88-0)

Guidance literature:

With pyridine; boron trifluoride diethyl etherate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; Yield given. Multistep reaction; 1.) CH₂Cl₂, 30 min, 2.) 12 h;

DOI:10.1021/jo962159t

upstream raw materials:

perfluorobenzaldehyde

3,4-difluoro-1H-pyrrole

Downstream raw materials:

[2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin]manganese(II)

Refernces

• 1、 Shimizu, Soji,Shin, Ji-Young,Furuta, Hiroyuki,Ismael, Rami,Osuka, Atsuhiro. "Perfluorinated meso-aryl-substituted expanded porphyrins". . p. 78 - 82. Retrieved 2003.
• 2、 -. "Octafluoro-meso-tetraarylporphyrins and methods for making these compounds". . . Retrieved 2008/06/13.