Acetic acid, [(4-chlorophenyl)thio]-, 8-quinolinyl ester

Base Information

• Chemical Name: Acetic acid, [(4-chlorophenyl)thio]-, 8-quinolinyl ester
• CAS No.: 141649-51-6
• Molecular Formula: C₁₇H₁₂ClNO₂S
• Molecular Weight: 329.807
• DSSTox Substance ID: DTXSID40435094
• Wikidata: Q82249787
• Mol file: 141649-51-6.mol

Synonyms:Acetic acid, [(4-chlorophenyl)thio]-, 8-quinolinyl ester;DTXSID40435094

Chemical Property of Acetic acid, [(4-chlorophenyl)thio]-, 8-quinolinyl ester

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 329.0277275
• Heavy Atom Count: 22
• Complexity: 374

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)OC(=O)CSC3=CC=C(C=C3)Cl)N=CC=C2

Technology Process of Acetic acid, [(4-chlorophenyl)thio]-, 8-quinolinyl ester

There total 2 articles about Acetic acid, [(4-chlorophenyl)thio]-, 8-quinolinyl ester 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: 72.0%

8-quinolyl-α-chloroacetate (5568-49-0) + p-Chlorothiophenol (106-54-7) → (4-Chloro-phenylsulfanyl)-acetic acid quinolin-8-yl ester (141649-51-6)

Guidance literature:

In benzene; for 8h; Heating;

DOI:10.1135/cccc19921547

Reference yield:

8-quinolinol (148-24-3,24804-14-6) → (4-Chloro-phenylsulfanyl)-acetic acid quinolin-8-yl ester (141649-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 2 h / Ambient temperature

2: 72 percent / benzene / 8 h / Heating

With pyridine; In benzene;

DOI:10.1135/cccc19921547

Reference yield: 73.0%

(4-Chloro-phenylsulfanyl)-acetic acid quinolin-8-yl ester (141649-51-6) → (4-Chloro-benzenesulfonyl)-acetic acid quinolin-8-yl ester (141649-59-4)

Guidance literature:

With dihydrogen peroxide; acetic acid; for 72h; Ambient temperature;

DOI:10.1135/cccc19921547

upstream raw materials:

8-quinolyl-α-chloroacetate

p-Chlorothiophenol

8-quinolinol

Downstream raw materials:

(4-Chloro-benzenesulfonyl)-acetic acid quinolin-8-yl ester