Quinoline-8-sulfonamide

Base Information

• Chemical Name: Quinoline-8-sulfonamide
• CAS No.: 35203-91-9
• Molecular Formula: C9H8 N2 O2 S
• Molecular Weight: 208.241
• Hs Code.: 2935009090
• European Community (EC) Number: 846-161-8
• NSC Number: 67458
• DSSTox Substance ID: DTXSID30188709
• Nikkaji Number: J501.114K
• Wikidata: Q83060545
• Pharos Ligand ID: CNFS36R77HDF
• ChEMBL ID: CHEMBL268809
• Mol file: 35203-91-9.mol

Synonyms:quinoline-8-sulfonamide;8-Quinolinesulfonamide;35203-91-9;8-Sulfonamidoquinoline;Quinoline-8-sulfonic acid amide;CHEMBL268809;SMR000009729;CCRIS 7819;8-quinoline-sulfonamide;Oprea1_399346;Oprea1_819599;SCHEMBL50688;MLS000070229;MLS001075623;MLS001075858;DTXSID30188709;ZTYZEUXZHGOXRT-UHFFFAOYSA-N;HMS2220E20;HMS3356M20;NSC67458;BDBM50125190;MFCD01191906;NSC 67458;NSC-67458;STK387517;AKOS000678636;CR-0061;SB72066;BB 0254742;CS-0155801;FT-0679225;EN300-77791;D70482;AG-690/12555018;SR-01000596881;SR-01000596881-1;Z57824497;G8L

Chemical Property of Quinoline-8-sulfonamide

Chemical Property:

• Vapor Pressure: 5.16E-08mmHg at 25°C
• Melting Point: 183-184 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 442.1°Cat760mmHg
• PKA: 9.57±0.30(Predicted)
• Flash Point: 221.2°C
• PSA: 81.43000
• Density: 1.429g/cm³
• LogP: 2.66330
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.03064868
• Heavy Atom Count: 14
• Complexity: 296

Purity/Quality:

98%min ^*data from raw suppliers

Quinoline-8-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)S(=O)(=O)N)N=CC=C2

Technology Process of Quinoline-8-sulfonamide

There total 3 articles about Quinoline-8-sulfonamide 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: 91.0%

quinoline-8-sulfonyl chloride (18704-37-5) → 8-quinolinesulfonamide (35203-91-9)

Guidance literature:

With ammonium hydroxide; at 45 ℃; for 0.5h;

DOI:10.3987/COM-07-11088

Reference yield: 70.0%

8-quinolinesulfinic acid sodium salt (61081-36-5) → 8-quinolinesulfonamide (35203-91-9)

Guidance literature:

8-quinolinesulfinic acid sodium salt; With iodine; at 20 ℃; for 0.333333h; Green chemistry;

With ammonium hydroxide; water; at 20 ℃; for 3h; Green chemistry;

DOI:10.1039/c4gc02236j

Reference yield:

→ 8-quinolinesulfonamide (35203-91-9)

Guidance literature:

Sulfonylazid (12), Butylamin;

upstream raw materials:

quinoline-8-sulfonyl chloride

8-quinolinesulfinic acid sodium salt

Refernces

• 1、 Yang, Kai,Ke, Miaolin,Lin, Yuanguang,Song, Qiuling. "Sulfonamide formation from sodium sulfinates and amines or ammonia under metal-free conditions at ambient temperature". . p. 1395 - 1399. Retrieved 2015/03/18.
• 2、 Maslankiewicz, Andrzej,Marciniec, Krzysztof,Pawlowski, Maciej,Zajdel, Pawel. "From haloquinolines and halopyridines to quinoline- and pyridinesulfonyl chlorides and sulfonamides". . p. 1975 - 1990. Retrieved 2008/09/16.