4-(10,15,20-Triphenylporphyrin-5-yl)benzoic acid

Base Information

• Chemical Name: 4-(10,15,20-Triphenylporphyrin-5-yl)benzoic acid
• CAS No.: 95051-10-8
• Molecular Formula: C₄₅H₃₀N₄O₂
• Molecular Weight: 658.759
• DSSTox Substance ID: DTXSID70422513
• Mol file: 95051-10-8.mol

Synonyms:SCHEMBL19640818;DTXSID70422513;4-(10,15,20-triphenylporphyrin-5-yl)benzoic acid

Chemical Property of 4-(10,15,20-Triphenylporphyrin-5-yl)benzoic acid

Chemical Property:

• Melting Point: >300 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4); methanol (67-56-1))
• Refractive Index: 1.707
• PSA: 93.60000
• Density: 1.309g/cm³
• LogP: 6.56440
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 658.23687621
• Heavy Atom Count: 51
• Complexity: 1080

Purity/Quality:

≥99% ^*data from raw suppliers

5-Mono(4-carboxyphenyl)-10,15,20-triphenylPorphine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3
• Uses: 5-Mono(4-carboxyphenyl)-10,15,20-triphenyl porphine (CAS# 95051-10-8) is a versatile porphyrin derivative, and has been used in the synthesis of porphyrin diazoketones capable of supporting S-H insertion and catalytic dimerization. 5-Mono(4-carboxyphenyl)-10,15,20-triphenyl porphine has also been used in the synthesis of photodynamic molecular beacons as potential cancer-targeted agents.

Technology Process of 4-(10,15,20-Triphenylporphyrin-5-yl)benzoic acid

There total 20 articles about 4-(10,15,20-Triphenylporphyrin-5-yl)benzoic acid 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: 100.0%

5,10,15-triphenyl-20-(4-methoxycarbonylphenyl)porphyrin → 4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)benzoic acid (95051-10-8)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; Heating;

DOI:10.1021/ja036294g

Reference yield: 95.0%

5-(4-methoxycarbonylphenyl)-10,15,20-triphenyl-21H,23H-porphyrin → 5,10,15-triphenyl-20-p-benzoic acid porphyrin (95051-10-8)

Guidance literature:

With pyridine; potassium hydroxide; In tetrahydrofuran; for 38h; Heating;

DOI:10.1016/j.bmc.2005.04.015

Reference yield: 82.0%

5-(4-methoxycarbonylphenyl)-10,15,20-triphenylporphyrin → 5-(4-carboxyphenyl)-10,15,20-triphenyl-21H,23H-porphyrin (95051-10-8)

Guidance literature:

With potassium hydroxide; In methanol; water; at 90 ℃; for 3h;

DOI:10.1002/jhet.1009

upstream raw materials:

pyrrole

benzaldehyde

4-Carboxybenzaldehyde

5-phenyldipyrromethane

Downstream raw materials:

5-(4-carboxyphenyl)-10,15,20-triphenylporphyrinato zinc(II)

[5-(4-carboxyphenyl)-10,15,20-triphenylporphyrinato]cobalt(II)