5-Quinolinesulfonic acid

Base Information

• Chemical Name: 5-Quinolinesulfonic acid
• CAS No.: 23261-58-7
• Molecular Formula: C9H7 N O3 S
• Molecular Weight: 209.225
• Hs Code.: 2933499090
• European Community (EC) Number: 245-538-9
• NSC Number: 229329
• UNII: Z73P2VF6ZF
• DSSTox Substance ID: DTXSID30177835
• Nikkaji Number: J139.705B
• Wikidata: Q72505915
• Mol file: 23261-58-7.mol

Synonyms:quinoline-5-sulfonic acid;5-Quinolinesulfonic acid;23261-58-7;Quinoline-5-sulphonic acid;5-Quinolinesulfonicacid;Z73P2VF6ZF;EINECS 245-538-9;NSC-229329;NSC-20844;UNII-Z73P2VF6ZF;SCHEMBL5243080;DTXSID30177835;NSC229329;STL275369;AKOS016371084;NSC 229329;FT-0750919;AO-801/41077576

Chemical Property of 5-Quinolinesulfonic acid

Chemical Property:

• PKA: -1.32±0.40(Predicted)
• PSA: 75.64000
• Density: 1.499±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.56230
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 209.01466426
• Heavy Atom Count: 14
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

QUINOLINE-5-SULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC=N2)C(=C1)S(=O)(=O)O

Technology Process of 5-Quinolinesulfonic acid

There total 9 articles about 5-Quinolinesulfonic 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:

quinoline (91-22-5) → quinoline-5-sulfonic acid (23261-58-7) + 7-quinolinesulfonic acid (65433-96-7) + 8-quinolinesulfonic acid (85-48-3)

Guidance literature:

With sulfuric acid; at 140 - 160 ℃; for 3h; Yield given. Yields of byproduct given;

Reference yield:

quinoline-5-sulfonyl chloride (102878-84-2) → quinoline-5-sulfonic acid (23261-58-7)

Guidance literature:

With dmap; sodium hydroxide; In 1,4-dioxane; water; at 60 ℃; for 3h;

Reference yield:

5-Aminoquinoline (611-34-7,146614-41-7) → quinoline-5-sulfonic acid (23261-58-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; thionyl chloride; copper(l) chloride; sodium nitrite / water / -5 - 7 °C

2: dmap; sodium hydroxide / 1,4-dioxane; water / 3 h / 60 °C

With hydrogenchloride; dmap; thionyl chloride; copper(l) chloride; sodium hydroxide; sodium nitrite; In 1,4-dioxane; water;

upstream raw materials:

quinoline

3-aminobenzenesulfonic acid

glycerol

8-aminoquinoline-5-sulphonic acid

Downstream raw materials:

quinolin-5-ol

quinoline-5-sulfonyl chloride

nicotinic acid

sodium 1-(5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzyl)-1,2,3,4-tetrahydroquinoline-5-sulfonate

Refernces

• 1、 Sidorov, O. F.,Kosareva, M. A.. "CATALYTIC OXIDATION OF SULFONATED QUINOLINE DERIVATIVES BY SULFURIC ACID". . p. 219 - 220. Retrieved 2007/10/02.