Deuteroporphyrin IX 2,4-disulfonic acid dimethyl ester disodium salt

Base Information

• Chemical Name: Deuteroporphyrin IX 2,4-disulfonic acid dimethyl ester disodium salt
• CAS No.: 58537-78-3
• Molecular Formula: C₃₀H₃₀N₄O₁₀S₂
• Molecular Weight: 670.721
• DSSTox Substance ID: DTXSID10585934
• Nikkaji Number: J2.084.861H
• Mol file: 58537-78-3.mol

Synonyms:58537-78-3;DEUTEROPORPHYRIN IX 2,4-DISULFONIC ACID DIMETHYL ESTER DISODIUM SALT;disodium;13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2,7-disulfonate;DTXSID10585934;Disodium 13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-2,7-disulfonate

Chemical Property of Deuteroporphyrin IX 2,4-disulfonic acid dimethyl ester disodium salt

Chemical Property:

• PSA: 240.06000
• Density: 1.67±0.1 g/cm3(Predicted)
• LogP: 3.09690
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 742.13552414
• Heavy Atom Count: 50
• Complexity: 1360

Purity/Quality:

98.5% ^*data from raw suppliers

DeuteroporphyrinIX2,4-disulfonicaciddimethylesterdisodiumsalt >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)S(=O)(=O)[O-])C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)S(=O)(=O)[O-].[Na+].[Na+]

Technology Process of Deuteroporphyrin IX 2,4-disulfonic acid dimethyl ester disodium salt

There total 1 articles about Deuteroporphyrin IX 2,4-disulfonic acid dimethyl ester disodium salt 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: 63.6%

deuteroporphyrin IX (448-65-7) → 2,4-disulfonic-1,3,5,8-tetramethylporphin-6,7-dipropanoic acid (58537-78-3)

Guidance literature:

With N-pyridinium sulfonic acid; at 165 ℃; for 0.5h;

upstream raw materials:

deuteroporphyrin IX

Refernces