Eprodisate

Base Information

• Chemical Name: Eprodisate
• CAS No.: 21668-77-9
• Molecular Formula: C₃H₈O₆S₂
• Molecular Weight: 204.225
• Hs Code.: 2904100000
• European Community (EC) Number: 679-154-1
• UNII: 6QFP76V7S7
• DSSTox Substance ID: DTXSID4048301
• Nikkaji Number: J534.155H
• Wikipedia: 1,3-Propanedisulfonic_acid
• Wikidata: Q27265336
• NCI Thesaurus Code: C166957
• Metabolomics Workbench ID: 149763
• ChEMBL ID: CHEMBL2111092
• Mol file: 21668-77-9.mol

Synonyms:eprodisate

Chemical Property of Eprodisate

Chemical Property:

• Melting Point: 120-124 °C
• Refractive Index: 1.4220
• Boiling Point: 157 °C(Press: 1.4 Torr)
• PKA: 1.21±0.50(Predicted)
• PSA: 125.50000
• Density: 1.773g/cm³
• LogP: 1.31370
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 203.97623032
• Heavy Atom Count: 11
• Complexity: 254

Purity/Quality:

98% ^*data from raw suppliers

1,3-Propanedisulfonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34-20/21/22
• Safety Statements: 26-36-45-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CS(=O)(=O)O)CS(=O)(=O)O
• Uses: Treatment of secondary (AA) amyloidosis.

Technology Process of Eprodisate

There total 6 articles about Eprodisate 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: 90.0%

1.3-propanedithiol (109-80-8) → propane-1,3-disulfonic acid (21668-77-9)

Guidance literature:

With HOF* CH₃CN; In dichloromethane; at 0 ℃;

DOI:10.1016/j.tetlet.2007.09.083

Reference yield:

1,3-dibromo-propane (109-64-8) → propane-1,3-disulfonic acid (21668-77-9)

Guidance literature:

With water; sodium sulfite; entsteht das Dinatriumsalz;

DOI:10.1021/ja01225a053 DOI:10.1021/ja01294a029

Reference yield:

sodium 3-mercaptopropanesulfonate (17636-10-1) → propane-1,3-disulfonic acid (21668-77-9) + disodium 3,3'-dithiodipropanesulfonate

Guidance literature:

With CuSO₄; oxygen; In water; Electrochemical reaction;

DOI:10.1149/1.3537819

upstream raw materials:

1.3-propanedithiol

1,3-propanesultone

thiourea

1,3-propanedisulfonyl dichloride

Downstream raw materials:

Propandisulfonsaeure-(1,3)-dimethylester

1,3-propanedisulfonyl dichloride

Refernces

• 1、 Shefer, Neta,Carmeli, Mira,Rozen, Shlomo. "General, fast, and high yield oxidation of thiols and disulfides to sulfonic and sulfinic acids using HOF·CH3CN". . p. 8178 - 8181. Retrieved 2008/03/14.