Methoxy({[(trichloromethyl)disulfanyl]carbothioyl}oxy)ethane

Base Information

• Chemical Name: Methoxy({[(trichloromethyl)disulfanyl]carbothioyl}oxy)ethane
• CAS No.: 7120-50-5
• Molecular Formula: C₁₃H₁₀FNO₂
• Molecular Weight: 231.226
• NSC Number: 43441
• DSSTox Substance ID: DTXSID00286009
• Wikidata: Q82021584
• Mol file: 7120-50-5.mol

Synonyms:methoxy({[(trichloromethyl)disulfanyl]carbothioyl}oxy)ethane;NSC43441;6329-42-6;DTXSID00286009;NSC-43441;7120-50-5

Chemical Property of Methoxy({[(trichloromethyl)disulfanyl]carbothioyl}oxy)ethane

Chemical Property:

• Vapor Pressure: 0.000277mmHg at 25°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 299.867376
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COCCOC(=S)SSC(Cl)(Cl)Cl

Technology Process of Methoxy({[(trichloromethyl)disulfanyl]carbothioyl}oxy)ethane

There total 3 articles about Methoxy({[(trichloromethyl)disulfanyl]carbothioyl}oxy)ethane 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:

aniline (62-53-3) + 5-fluoro-2-hydroxy-benzoyl chloride (2728-74-7) → 5-Fluoro-2-hydroxy-N-phenyl-benzamide (7120-50-5)

Guidance literature:

In dichloromethane; at 25 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2019.06.023

Reference yield:

5-fluoro-2-hydroxybenzoic acid (345-16-4) → 5-Fluoro-2-hydroxy-N-phenyl-benzamide (7120-50-5)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 12 h / 25 °C

2: dichloromethane / 25 °C / Inert atmosphere

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1016/j.bmcl.2019.06.023

Reference yield:

→ 5-Fluoro-2-hydroxy-N-phenyl-benzamide (7120-50-5)

Guidance literature:

entspr. Salicylsaeure, 1) PCl3, 2) Anilin;

upstream raw materials:

5-fluoro-2-hydroxybenzoic acid

aniline

5-fluoro-2-hydroxy-benzoyl chloride

Refernces