2-Methyl-1-(3-sulphonatopropyl)quinolinium

Base Information

• Chemical Name: 2-Methyl-1-(3-sulphonatopropyl)quinolinium
• CAS No.: 51583-69-8
• Molecular Formula: C13H15 N O3 S
• Molecular Weight: 265.333
• Hs Code.: 2933499090
• European Community (EC) Number: 257-298-2
• DSSTox Substance ID: DTXSID0068650
• Wikidata: Q72497433
• ChEMBL ID: CHEMBL1360699
• Mol file: 51583-69-8.mol

Synonyms:51583-69-8;2-Methyl-1-(3-sulphonatopropyl)quinolinium;3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate;2-Methyl-1-(3-sulfopropyl)-quinolinium inner salt;EINECS 257-298-2;2-Methyl-1-(3-sulfopropyl)quinolinium hydroxide, inner salt;Quinolinium, 2-methyl-1-(3-sulfopropyl)-, inner salt;2-Methyl-1-(3-sulfopropyl)quinolinium, hydroxide, inner salt;MLS000558712;3-(2-methylquinolinium-1-yl)propane-1-sulfonate;AMY823;SCHEMBL7256433;CHEMBL1360699;DTXSID0068650;HMS2316A10;MFCD00182042;AKOS000507442;SB71447;NCGC00245480-01;DS-13649;SMR000175125;CS-0153757;FT-0652283;F11693;A829225;A856988;3-(2-Methyl-1-Quinoliniumyl)-1-Propane Sulfonate;3-(2-methyl-1-quinolin-1-iumyl)-1-propanesulfonate;Quinolinium, 2-methyl-1-(3-sulfopropyl)-, hydroxide, inner salt

Chemical Property of 2-Methyl-1-(3-sulphonatopropyl)quinolinium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 69.46000
• Density: g/cm³
• LogP: 2.45180
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 265.07726451
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

99%, ^*data from raw suppliers

3-(2-Methylquinolin-1-ium-1-yl)propane-1-sulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=CC=CC=C2C=C1)CCCS(=O)(=O)[O-]

Technology Process of 2-Methyl-1-(3-sulphonatopropyl)quinolinium

There total 2 articles about 2-Methyl-1-(3-sulphonatopropyl)quinolinium 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: 84.0%

1,3-propanesultone (1120-71-4) + 2-methylquinoline (91-63-4) → 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate (51583-69-8)

Guidance literature:

for 0.00416667h; microvawe irradiation;

DOI:10.1016/S0040-4039(98)02301-6

Reference yield:

→ 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate (51583-69-8)

Guidance literature:

Reference yield: 60.0%

4-butyloxy-3,5-dimethoxybenzaldehyde (92157-13-6) + 3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate (51583-69-8) → C26H31NO6S

Guidance literature:

With piperidine; In methanol; at 65 ℃;

DOI:10.1016/j.poly.2019.06.015

upstream raw materials:

1,3-propanesultone

2-methylquinoline

Refernces

• 1、 -. "Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative". . . Retrieved 2008/06/13.