[(4-Methylquinolin-2-yl)sulfanyl]acetate

Base Information

• Chemical Name: [(4-Methylquinolin-2-yl)sulfanyl]acetate
• CAS No.: 17880-62-5
• Molecular Formula: C₁₂H₁₁NO₂S
• Molecular Weight: 233.291
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60939120
• Wikidata: Q82915564
• Mol file: 17880-62-5.mol

Synonyms:[(4-methylquinolin-2-yl)sulfanyl]acetate;MLS000769428;DTXSID60939120;HMS2808G07;STL147286;AKOS005746926;SMR000434232;Sodium;(4-methyl-quinolin-2-ylsulfanyl)-acetate

Chemical Property of [(4-Methylquinolin-2-yl)sulfanyl]acetate

Chemical Property:

• Vapor Pressure: 1.62E-08mmHg at 25°C
• Boiling Point: 439.9°Cat760mmHg
• Flash Point: 219.9°C
• PSA: 75.49000
• Density: 1.33g/cm³
• LogP: 2.71990
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 232.04322474
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

[(4-Methylquinolin-2-yl)sulfanyl]acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC2=CC=CC=C12)SCC(=O)[O-]
• General Description: (4-Methyl-quinolin-2-ylsulfanyl)-acetic acid is a sulfur-containing quinoline derivative that serves as a versatile ligand in coordination chemistry, forming luminescent supramolecular polymeric assemblies with silver(I) ions. It exhibits tridentate bridging behavior, coordinating through sulfur, nitrogen, and oxygen atoms to create complex structures with four- and five-coordinate metal centers. (4-METHYL-QUINOLIN-2-YLSULFANYL)-ACETIC ACID also demonstrates photoluminescence, emitting in the blue spectral range (~450 and ~485 nm). Its synthesis involves reactions of 4-methyl-2-thioxoquinoline with chloroacetic acid or via oxidative methods from allylthio intermediates.

Technology Process of [(4-Methylquinolin-2-yl)sulfanyl]acetate

There total 6 articles about [(4-Methylquinolin-2-yl)sulfanyl]acetate 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: 97.0%

4-methyl-2-thioxo-1H-quinoline (4437-65-4) + chloroacetic acid (79-11-8) → (4-methyl-2-quinolylthio)acetic acid (17880-62-5)

Guidance literature:

With sodium hydroxide; for 2h; Heating;

DOI:10.1007/s10593-005-0154-z

Reference yield: 92.0%

(4-methyl-2-quinolylthio)acetic acid ethyl ester (107456-14-4) → (4-methyl-2-quinolylthio)acetic acid (17880-62-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h; Heating;

DOI:10.1007/s10593-005-0154-z

Reference yield: 63.0%

2-allylthio-4-methylquinoline (22977-70-4) → (4-methyl-2-quinolylthio)acetic acid (17880-62-5)

Guidance literature:

With potassium permanganate; potassium carbonate; In acetone;

DOI:10.1007/s10593-005-0154-z

upstream raw materials:

2-mercapto-4-methylquinoline

chloroacetic acid

2-allylthio-4-methylquinoline

(4-methyl-2-quinolylthio)acetic acid ethyl ester

Downstream raw materials:

2-phenylmercaptocarbamoyl-5-methylthiazolo<3,2-a>quinolinium 1-oxide

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