2-(4-Fluorophenoxy)ethanethioamide

Base Information

• Chemical Name: 2-(4-Fluorophenoxy)ethanethioamide
• CAS No.: 35370-93-5
• Molecular Formula: C8H8FNOS
• Molecular Weight: 0
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60427870
• Wikidata: Q82240594
• Mol file: 35370-93-5.mol

Synonyms:2-(4-fluorophenoxy)ethanethioamide;35370-93-5;HMS1741N19;C8H8FNOS;DTXSID60427870;STL453446;AKOS000118123;CS-0234626;FT-0739344;EN300-14473

Chemical Property of 2-(4-Fluorophenoxy)ethanethioamide

Chemical Property:

• Vapor Pressure: 0.00034mmHg at 25°C
• Boiling Point: 319.4°Cat760mmHg
• Flash Point: 147°C
• PSA: 67.34000
• Density: 1.296g/cm³
• LogP: 2.19090
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 185.03106321
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

2-(4-fluorophenoxy)ethanethioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC(=S)N)F

Technology Process of 2-(4-Fluorophenoxy)ethanethioamide

There total 3 articles about 2-(4-Fluorophenoxy)ethanethioamide 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-(4-fluorophenoxy)acetonitrile (24115-20-6) → 2-(4-Fluoro-phenoxy)-thioacetamide (35370-93-5)

Guidance literature:

With phosphorous pentasulfide; In ethanol; at 20 ℃; for 5h;

DOI:10.1016/j.bmcl.2022.128602

Reference yield:

4-Fluorophenol (371-41-5) → 2-(4-Fluoro-phenoxy)-thioacetamide (35370-93-5)

Guidance literature:

Multi-step reaction with 2 steps

1: anhydrous sodium carbonate; potassium iodide / N,N-dimethyl-formamide / 8 h / 60 °C

2: phosphorous pentasulfide / ethanol / 5 h / 20 °C

With phosphorous pentasulfide; anhydrous sodium carbonate; potassium iodide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2022.128602

Reference yield:

(4-fluorophenoxy)acetic acid methyl ester (55444-93-4) → 2-(4-Fluoro-phenoxy)-thioacetamide (35370-93-5)

Guidance literature:

Multistep reaction; (i) aq. NH₃, (ii) P₂S₅, benzene;

upstream raw materials:

(4-fluorophenoxy)acetic acid methyl ester

4-Fluorophenol

2-(4-fluorophenoxy)acetonitrile

Downstream raw materials:

C₁₁H₉ClFNOS