Sodium 2,3-dioxoindoline-5-sulfonate

Base Information

• Chemical Name: Sodium 2,3-dioxoindoline-5-sulfonate
• CAS No.: 80789-74-8
• Molecular Formula: C8H5 N O5 S . Na
• Molecular Weight: 249.179
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID4025452
• Nikkaji Number: J267.253G
• Mol file: 80789-74-8.mol

Synonyms:isatin-5-sulfonic acid;isatin-5-sulfonic acid, sodium salt

Chemical Property of Sodium 2,3-dioxoindoline-5-sulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 108.92000
• Density: 1.743g/cm³
• LogP: 1.28690
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 248.97078768
• Heavy Atom Count: 16
• Complexity: 415

Purity/Quality:

99%min ^*data from raw suppliers

Sodium2,3-dioxoindoline-5-sulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=O)N2.[Na+]

Technology Process of Sodium 2,3-dioxoindoline-5-sulfonate

There total 4 articles about Sodium 2,3-dioxoindoline-5-sulfonate 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: 83.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → 5-isatinsulfonic acid sodium salt (80789-74-8)

Guidance literature:

indole-2,3-dione; With sulfuric acid; sulfur trioxide; at -15 - 70 ℃;

With sodium hydroxide; pH=7; cooling;

DOI:10.1021/jm051217c

Reference yield:

indirubin (479-41-4) → 5-isatinsulfonic acid sodium salt (80789-74-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 1 h / 80 °C

2: 22 °C / pH 7 / Electrochemical reaction; aq. buffer

With sulfuric acid;

DOI:10.1016/j.electacta.2010.10.008

Reference yield:

leuco-indirubin (75038-06-1) → 5-isatinsulfonic acid sodium salt (80789-74-8)

Guidance literature:

Multi-step reaction with 3 steps

1: air / 22 °C / pH 1.8 / aq. buffer; Electrochemical reaction

2: sulfuric acid / 1 h / 80 °C

3: 22 °C / pH 7 / Electrochemical reaction; aq. buffer

With sulfuric acid;

DOI:10.1016/j.electacta.2010.10.008

upstream raw materials:

indole-2,3-dione

indirubin

leuco-indirubin

Downstream raw materials:

(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(2-(5-(N,N-dimethylsulfamoyl)-2,3-dioxoindolin-1-yl)acetoxy)ethyl)pyridine 1-oxide

1-(isatin-5'-sulfonic acid)-4-(4'-methoxyphenyl)-3-thiosemicarbazone

[2,3-dioxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-2,3-dihydro-indol-1-yl]-acetic acid tert-butyl ester

Refernces

• 1、 Hu, Xiao-Wei,He, Jian-Bo,You, Ya-Hua,Zhang, Ying-Meng,Zhang, Shi-Liang. "Spectroelectrochemistry of solid indirubin and its sulfonated form". . p. 1219 - 1226. Retrieved 2011/04/19.