21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, tetramethyl ester

Base Information

• Chemical Name: 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, tetramethyl ester
• CAS No.: 15435-60-6
• Molecular Formula: C48H54 N4 O16
• Molecular Weight: 942.974
• DSSTox Substance ID: DTXSID201110915
• Nikkaji Number: J218.428A,J821.131K
• Mol file: 15435-60-6.mol

Synonyms:21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, tetramethyl ester;methyl 3-[3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12,18-tris(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;UroporphyrinIIIoctamethylester;VPJVSUUBSQPKNK-UHFFFAOYSA-N;DTXSID201110915;2,7,12,18-Tetramethyl 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-21H,23H-porphine-2,7,12,18-tetrapropanoate

Chemical Property of 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, tetramethyl ester

Chemical Property:

• Appearance/Colour: red to black pwdr.
• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1153.1 °C at 760 mmHg
• Flash Point: 651.2 °C
• PSA: 266.70000
• Density: 1.293 g/cm³
• LogP: 1.23890
• Storage Temp.: −20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 28
• Exact Mass: 942.35348165
• Heavy Atom Count: 68
• Complexity: 1770

Purity/Quality:

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

Uroporphyrin III, octamethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)OC)CC(=O)OC)C(=C4CCC(=O)OC)CC(=O)OC)C(=C3CCC(=O)OC)CC(=O)OC)CC(=O)OC

Technology Process of 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, tetramethyl ester

There total 9 articles about 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, tetramethyl ester 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:

uroporphyrin I octamethyl ester (10170-03-3) → uroporphyrin II octamethyl ester (15435-60-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂, EtOAc / 10 percent Pd/C / methanol; acetic acid; H₂O / 1 h / Ambient temperature

2: 1.) 2-mercaptobenzothiazolylmethylpyrrole, AgOTf, Na₂HPO₄, 2.) O₂, NaOAc / 1.) dichloromethane, RT, 20 h, 2.) dichloromethane, 1 h

With disodium hydrogenphosphate; 2-mercaptobenzothiazolylmethylpyrrole; hydrogen; oxygen; sodium acetate; silver trifluoromethanesulfonate; ethyl acetate; palladium on activated charcoal; In methanol; water; acetic acid;

DOI:10.1016/S0040-4039(99)00400-1

Reference yield:

→ uroporphyrin II octamethyl ester (15435-60-6)

Guidance literature:

With hydrogenchloride;

Reference yield:

methanol (67-56-1) + 3-[(1Z,5Z,9Z,14Z)-17-(2-Carboxy-ethyl)-3,18-bis-carboxymethyl-7,13-bis-(2-methoxycarbonyl-ethyl)-8,12-bis-methoxycarbonylmethyl-22,24-dihydro-porphin-2-yl]-propionic acid → uroporphyrin II octamethyl ester (15435-60-6)

Guidance literature:

With sulfuric acid;

upstream raw materials:

methanol

uroporphyrinogen I octamethyl ester

uroporphyrin I octamethyl ester