3-ACETYL-5-(P-FLUOROBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE

Base Information

• Chemical Name: 3-ACETYL-5-(P-FLUOROBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE
• CAS No.: 5518-90-1
• Molecular Formula: C13H9FO3S
• Molecular Weight: 264.277
• Hs Code.: 2934999090
• Mol file: 5518-90-1.mol

Synonyms:3-Acetyl-5-p-fluorobenzylidene-2,5-dihydro-4-hydroxy-2-oxothiophen;

Chemical Property of 3-ACETYL-5-(P-FLUOROBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE

Chemical Property:

• Vapor Pressure: 2.96E-09mmHg at 25°C
• Boiling Point: 460°Cat760mmHg
• Flash Point: 232°C
• PSA: 79.67000
• Density: 1.517g/cm³
• LogP: 2.84110

Purity/Quality:

3-ACETYL-5-(P-FLUOROBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-ACETYL-5-(P-FLUOROBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE

There total 3 articles about 3-ACETYL-5-(P-FLUOROBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE 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: 53.0%

4-fluorobenzaldehyde (459-57-4) + 3-acetyl-4-hydroxythiophen-2(5H)-one (17606-32-5) → 3-acetyl-4-hydroxy-5-(4-fluorobenzylidene)thiophen-2(5H)-one (5518-90-1)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 10h; Reflux;

Reference yield:

C9H12O5S → 3-acetyl-4-hydroxy-5-(4-fluorobenzylidene)thiophen-2(5H)-one (5518-90-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water

2: toluene-4-sulfonic acid / toluene / Reflux

With toluene-4-sulfonic acid; sodium hydroxide; In water; toluene;

DOI:10.1021/acs.jafc.7b05491

Reference yield:

→ 3-acetyl-4-hydroxy-5-(4-fluorobenzylidene)thiophen-2(5H)-one (5518-90-1)

Guidance literature:

aus 4-Fluorobenzaldehyd, 3-Acetyl-4-hydroxy-2-oxo-2,5-dihydrothiophen;

DOI:10.1038/210638a0

upstream raw materials:

4-fluorobenzaldehyde

3-acetyl-4-hydroxythiophen-2(5H)-one

Downstream raw materials:

2-Hydroxy-5-oxo-1-acetyl-4-<4-fluorphenyl>-3-thioxo-cyclopenten-(1)

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