Ethyl 2-phenylsulfanylquinoline-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-phenylsulfanylquinoline-4-carboxylate
• CAS No.: 6949-89-9
• Molecular Formula: C₁₈H₁₅NO₂S
• Molecular Weight: 309.389
• NSC Number: 25679
• DSSTox Substance ID: DTXSID60282380
• Wikidata: Q82016634
• Mol file: 6949-89-9.mol

Synonyms:6949-89-9;ethyl 2-phenylsulfanylquinoline-4-carboxylate;Ethyl 2-(phenylthio)quinoline-4-carboxylate;NSC25679;DTXSID60282380;NSC 25679;NSC-25679

Chemical Property of Ethyl 2-phenylsulfanylquinoline-4-carboxylate

Chemical Property:

• Vapor Pressure: 1.82E-09mmHg at 25°C
• Boiling Point: 482.5°Cat760mmHg
• Flash Point: 245.6°C
• Density: 1.27g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 309.08234989
• Heavy Atom Count: 22
• Complexity: 370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=CC=C3

Technology Process of Ethyl 2-phenylsulfanylquinoline-4-carboxylate

There total 2 articles about Ethyl 2-phenylsulfanylquinoline-4-carboxylate 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:

→ 2-phenylsulfanyl-quinoline-4-carboxylic acid ethyl ester (6949-89-9)

Guidance literature:

With ethanol;

DOI:10.1021/ja01216a090

Reference yield:

ethyl ester of 2-chlorocinchoninic acid (5467-61-8) + sodium thiophenolate (930-69-8) → 2-phenylsulfanyl-quinoline-4-carboxylic acid ethyl ester (6949-89-9)

Guidance literature:

With ethanol;

DOI:10.1021/ja01216a090

Reference yield:

2-phenylsulfanyl-quinoline-4-carboxylic acid ethyl ester (6949-89-9) → 2-phenylsulfanyl-quinoline-4-carboxylic acid (854860-95-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01216a090

upstream raw materials:

ethyl ester of 2-chlorocinchoninic acid

sodium thiophenolate

Downstream raw materials:

2-ethoxyquinoline-4-carboxylic acid

1-(2-phenylsulfanyl-[4]quinolyl)-ethanone

2-phenylsulfanyl-quinoline-4-carboxylic acid