potassium 1H-indol-3-yl sulfate

Base Information

• Chemical Name: potassium 1H-indol-3-yl sulfate
• CAS No.: 2642-37-7
• Deprecated CAS: 1309597-66-7
• Molecular Formula: C8H7 N O4 S . K
• Molecular Weight: 251.304
• Hs Code.: 2933990090
• European Community (EC) Number: 220-145-5
• UNII: 567HMW942W
• ChEMBL ID: CHEMBL1452061
• DSSTox Substance ID: DTXSID70181012
• Metabolomics Workbench ID: 123500
• Nikkaji Number: J41.081K
• Wikidata: Q27261386
• Mol file: 2642-37-7.mol

Synonyms:potassium 1H-indol-3-yl sulfate;2642-37-7;3-Indoxyl sulfate potassium salt;Indoxyl sulfate potassium salt;Potassium indol-3-yl sulfate;Potassium indoxyl sulfate;Indican (urinary);potassium;1H-indol-3-yl sulfate;Indol-3-yl potassium sulfate;Indol-3-ol, potassium sulfate;3-Indoxyl Sulfate-d4 Potassium Salt;Potassium 3-indoxyl sulfate;1346601-03-3;Urinary indican;567HMW942W;MFCD00037931;1H-Indol-3-ol, 3-(hydrogen sulfate), potassium salt (1:1);Potassium indol-3-yl sulphate;Indol-3-yl sulfate, potassium salt;EINECS 220-145-5;C8H6KNO4S;3-Indoxylsulfuric acid, potassium salt;UNII-567HMW942W;3-hydroxyindol;Potassium 3-Indolyl Sulfate;MLS001361369;potassium1H-indol-3-ylsulfate;CHEMBL1452061;SCHEMBL10550536;DTXSID70181012;MDAWATNFDJIBBD-UHFFFAOYSA-M;3-Indoxyl sulfate, potassium salt;INDOL-3-OL, HYDROGEN SULFATE (ester), POTASSIUM SALT;CCG-53133;AKOS016003133;AKOS024306954;CS-W012626;FD10016;HY-W011910;POTASSIUM,1H-INDOL-3-YL SULFATE;SMR000875350;SY106394;INDOXYL SULFATE POTASSIUM SALT [MI];FT-0615879;NS00074176;I-6350;EN300-1266343;A852055;SR-01000642319-1;Q27261386;Z3020640133;1H-Indol-3-ol,3-(hydrogen sulfate), potassium salt (1:1)

Chemical Property of potassium 1H-indol-3-yl sulfate

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Melting Point: 165 °C (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 90.60000
• Density: g/cm³
• LogP: 2.08770
• Storage Temp.: −20°C
• Sensitive.: Light Sensitive
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.96546033
• Heavy Atom Count: 15
• Complexity: 302

Purity/Quality:

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

3-Indoxyl sulfate potassium salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Indoles
• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+]
• Uses: An uremic toxin that acts as a potent endogenous agonist for the human aryl hydrocarbon receptor (AHR). Studies suggest that it is a sensitive and early biomarker of nephrotoxicity.

Technology Process of potassium 1H-indol-3-yl sulfate

There total 4 articles about potassium 1H-indol-3-yl sulfate 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:

1-acetyl-2,3-dihydro-1H-indol-3-one (16800-68-3) → indoxyl sulfate potassium salt (2642-37-7)

Guidance literature:

With pyridine; chlorosulfonic acid; Behandeln des Reaktionsprodukts mit konz.Kalilauge;

Reference yield:

indoxyl (480-93-3) → indoxyl sulfate potassium salt (2642-37-7)

Guidance literature:

With potassium hydroxide; potassium pyrosulfate;

Reference yield:

3-hydroxy-1H-indole-2-carboxylic acid (6245-93-8) → indoxyl sulfate potassium salt (2642-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: beim Erhitzen ueber den Schmelzpunkt

2: KOH-solution; K₂S₂O₇

With potassium hydroxide; potassium pyrosulfate;

upstream raw materials:

1-acetyl-2,3-dihydro-1H-indol-3-one

indoxyl

3-hydroxy-1H-indole-2-carboxylic acid

2-ethoxycarbonyl-1,2-dihydroindol-3-one

Downstream raw materials:

aniline

1H,1H'-2,2'-Biindolylidene-3,3'-dione

anthranilic acid