Quinoline-8-sulfonic acid

Base Information

• Chemical Name: Quinoline-8-sulfonic acid
• CAS No.: 85-48-3
• Molecular Formula: C9H7NO3S
• Molecular Weight: 209.225
• Hs Code.: 29334900
• Mol file: 85-48-3.mol

Synonyms:8-Quinolinesulfonic acid;Sulfonic acid, 8-quinoline-;

Chemical Property of Quinoline-8-sulfonic acid

Chemical Property:

• Melting Point: >300°C
• Refractive Index: 1.675
• PKA: -1.83±0.40(Predicted)
• PSA: 75.64000
• Density: 1.499 g/cm³
• LogP: 2.56230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 209.01466426
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

98%, ^*data from raw suppliers

Quinoline-8-sulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 34
• Safety Statements: 26-36/37/39-45-20

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)S(=O)(=O)[O-])[NH+]=CC=C2

Technology Process of Quinoline-8-sulfonic acid

There total 12 articles about Quinoline-8-sulfonic acid 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: 92.0%

cyclohexyl 8-quinolinesulfonate (117800-87-0) → cyclohexene (110-83-8) + 8-quinolinesulfonic acid (85-48-3)

Guidance literature:

at 150 ℃; for 0.75h; under 19 Torr; Product distribution; Mechanism; sulfonate esters, var. temp., pressure, time;

DOI:10.1021/jo00263a024

Reference yield: 54.0%

quinoline (91-22-5) → 8-quinolinesulfonic acid (85-48-3)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 90 ℃; for 40h;

DOI:10.1055/s-2004-834888

Reference yield:

2-phenylethyl-8-quinoline sulfonate → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 8-quinolinesulfonic acid (85-48-3)

Guidance literature:

at 159.65 - 226.85 ℃; Activation energy; Kinetics;

DOI:10.1002/1097-4601(2000)32:12<771::AID-KIN4>3.0.CO;2-0

upstream raw materials:

quinoline

bis-quinolinium sulphate

cyclohexyl 8-quinolinesulfonate

sulfuric acid

Downstream raw materials:

ethyl-8-quinoline sulfonate

8-quinolinol

8-nitroquinoline

Pyridine-2,3-dicarboxylic acid

Refernces

• 1、 -. "SULFONAMIDE OR AMIDE COMPOUNDS, COMPOSITIONS AND METHODS FOR THE PROPHYLAXIS AND/OR TREATMENT OF AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS". Paragraph 0101; 0114; 0115; 0116; 0117. . Retrieved 2018/09/19.
• 2、 -. "A 8-hydroxy quinoline method of preparing copper". Paragraph 0025-0028. . Retrieved 2017/04/13.