Etioporphyrin iii

Base Information

• Chemical Name: Etioporphyrin iii
• CAS No.: 26608-34-4
• Molecular Formula: C32H38 N4
• Molecular Weight: 478.681
• NSC Number: 409895
• UNII: YWM7PVC95X
• Nikkaji Number: J1.021.878K,J10.436A
• Wikidata: Q27294745
• Mol file: 26608-34-4.mol

Synonyms:Etioporphyrin iii;26608-34-4;ETIOPORPHYRIN;ETIOPORPHYRINIII;YWM7PVC95X;3,7,12,17-tetraethyl-2,8,13,18-tetramethyl-21,22-dihydroporphyrin;Etioporphyrin cento;UNII-YWM7PVC95X;Atioporphyrin III;MFCD00058737;ETIOPORPHYRIN 3;ETIOPORPHYRIN [MI];1,3,5,8-tetramethyl-2,4,6,7-tetraethylporphine;SCHEMBL200421;SCHEMBL842851;2,7,12,18-Tetraethyl-3,8,13,17-tetramethyl-21H,23H-porphine;NSC409895;NSC-409895;531-16-8;FT-0769399;Q27294745;3,8,13,17-tetraethyl-2,7,12,18-tetramethylporphyrin;2,7,12,18-tetramethyl-3,8,13,17-tetraethyl-21h,23h-porphine;21H,23H-Porphine, 2,7,12,18-tetraethyl-3,8,13,17-tetramethyl-

Chemical Property of Etioporphyrin iii

Chemical Property:

• Melting Point: 360-363°
• Boiling Point: 792.7±55.0 °C(Predicted)
• PKA: 18(at 25℃)
• PSA: 56.30000
• Density: 1.101±0.06 g/cm3(Predicted)
• LogP: 5.16550
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 478.30964723
• Heavy Atom Count: 36
• Complexity: 727

Purity/Quality:

98% ^*data from raw suppliers

Etioporphyrin III ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4C)CC)C(=C3C)CC)C

Technology Process of Etioporphyrin iii

There total 28 articles about Etioporphyrin iii 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: 87.0%

mesoporphyrin IX (493-90-3) → Etioporphyrin III (26608-34-4)

Guidance literature:

With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; at 200 ℃; for 4h;

DOI:10.1002/hlca.19890720202

Reference yield: 83.2%

1-bromo-3,8,13,17-tetraethyl-2,7,12,18,19-pentamethyl-5,15-biladienium dibromide (114155-53-2) → Etioporphyrin III (26608-34-4)

Guidance literature:

With pyridine; oxygen; dimethyl sulfoxide; In dichloromethane; for 336h; Ambient temperature;

DOI:10.1021/jo00247a025

Reference yield: 66.0%

protoporphyrin IX (553-12-8) → Etioporphyrin III (26608-34-4)

Guidance literature:

With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; at 200 ℃; for 4h;

DOI:10.1002/hlca.19890720202

upstream raw materials:

Bis-(3-aethyl-5-brom-4-methyl-pyrrol-2-yl)-methinium-bromid

mesoporphyrin IX

4-ethyl-5-methoxymethyl-3-methylpyrrole-2-carboxylic acid

1-bromo-3,8,13,17-tetraethyl-2,7,12,18,19-pentamethyl-5,15-biladienium dibromide

Downstream raw materials:

2,4-dimethyl-3-ethyl-pyrrole

4-ethyl-2,3-dimethyl-1H-pyrrole

3-ethyl-4-methyl-pyrrole-2,5-dione

3,4-dimethylmaleimide

Refernces

• 1、 Bonnett, Raymond,Ioannou, Stella,Moffat, David C.,Shukina, Elena F.. "The Identification of Deuteroetiohaem IX in Colorado Coal". . p. 1564 - 1566. Retrieved 1993.
• 2、 Hudson,Smith. "-". . p. 3077,3080,3082. Retrieved 1975.
• 3、 Jeandon, C.,Callot, H. J.. "Cyclotetramerization of modified Knorr pyrroles into porphyrins. A reinvestigation.". . p. 625 - 629. Retrieved 2007/10/02.