[(4-Fluorophenyl)sulfanyl]acetate

Base Information

• Chemical Name: [(4-Fluorophenyl)sulfanyl]acetate
• CAS No.: 332-51-4
• Molecular Formula: C8H7FO2S
• Molecular Weight: 186.207
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50954807
• Wikidata: Q72476538
• Mol file: 332-51-4.mol

Synonyms:DTXSID50954807;[(4-Fluorophenyl)sulfanyl]acetate

Chemical Property of [(4-Fluorophenyl)sulfanyl]acetate

Chemical Property:

• Appearance/Colour: Off-white to white crystalline solid
• Vapor Pressure: 0.000185mmHg at 25°C
• Melting Point: 76-79°C
• Boiling Point: 315.4 °C at 760 mmHg
• Flash Point: 144.5 °C
• PSA: 62.60000
• Density: 1.36 g/cm³
• LogP: 2.00240
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 185.00725377
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

(4-Fluorophenylthio)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)SCC(=O)[O-]

Technology Process of [(4-Fluorophenyl)sulfanyl]acetate

There total 8 articles about [(4-Fluorophenyl)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: 95.0%

(4-fluoro-phenylsulfanyl)-acetic acid methyl ester (226396-70-9) → (4-fluorophenylthio)acetic acid (332-51-4)

Guidance literature:

With potassium hydroxide; In methanol; Heating;

DOI:10.1016/j.bmcl.2007.10.049

Reference yield: 70.0%

→ (4-fluorophenylthio)acetic acid (332-51-4)

Guidance literature:

Reference yield: 53.0%

4-Fluorothiophenol (371-42-6) + chloroacetic acid (79-11-8) → (4-fluorophenylthio)acetic acid (332-51-4)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Heating;

upstream raw materials:

4-Fluorothiophenol

chloroacetic acid

4-fluoroaniline

mercaptoacetic acid

Downstream raw materials:

(4-fluoro-phenylsulfanyl)-acetic acid methyl ester

Tris(2-hydroxyethyl)ammonium 4-fluorophenylthioacetate

p-fluorothioanisole

p-fluorophenylsulphonylacetic acid