1-(2-Fluoro-5-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 1-(2-Fluoro-5-hydroxyphenyl)ethanone
• CAS No.: 145300-04-5
• Molecular Formula: C₈H₇FO₂
• Molecular Weight: 154.141
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10566309
• Wikidata: Q82451878
• Mol file: 145300-04-5.mol

Synonyms:1-(2-Fluoro-5-hydroxyphenyl)ethanone;145300-04-5;2'-Fluoro-5'-Hydroxyacetophenone;Ethanone, 1-(2-fluoro-5-hydroxyphenyl)-;1-(2-fluoro-5-hydroxyphenyl)ethan-1-one;MFCD09038472;2-FLUORO-5-HYDROXYACETOPHENONE;2 -Fluoro-5 -Hydroxyacetophenone;2'-FLUOR-5'-HYDROXYACETOPHENONE;SCHEMBL13100129;DTXSID10566309;2/'-Fluoro-5/'-Hydroxyacetophenone;CL8643;AKOS006330039;1-(2-fluoro-5-hydroxy-phenyl)ethanone;DS-17913;SY027904;CS-0043957;EN300-115667;Z1198184516;2 inverted exclamation mark -Fluoro-5 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 1-(2-Fluoro-5-hydroxyphenyl)ethanone

Chemical Property:

• Melting Point: 97°C
• Boiling Point: 290.7 °C at 760 mmHg
• PKA: 9.16±0.18(Predicted)
• Flash Point: 129.6 °C
• PSA: 37.30000
• Density: 1.247 g/cm³
• LogP: 1.73390
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Fluoro-5-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)O)F

Technology Process of 1-(2-Fluoro-5-hydroxyphenyl)ethanone

There total 3 articles about 1-(2-Fluoro-5-hydroxyphenyl)ethanone 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: 70.0%

5-acetyl-4-fluoro-3-cyclohexenone (145300-02-3) → 1-(2-fluoro-5-hydroxyphenyl)ethan-1-one (145300-04-5)

Guidance literature:

With lithium bromide; copper(ll) bromide; In acetonitrile; for 1h; Heating;

DOI:10.1016/S0040-4020(01)80829-2

Reference yield: 61.6%

2-bromo-1-fluoro-4-(methoxymethoxy)benzene → 1-(2-fluoro-5-hydroxyphenyl)ethan-1-one (145300-04-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tributyl-1-ethoxyethylene; In toluene; at 110 ℃; for 5h; Inert atmosphere;

Reference yield:

3-bromo-4-fluorophenol (27407-11-0) → 1-(2-fluoro-5-hydroxyphenyl)ethan-1-one (145300-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 20 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; tributyl-1-ethoxyethylene / toluene / 5 h / 110 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tributyl-1-ethoxyethylene; N-ethyl-N,N-diisopropylamine; In dichloromethane; toluene;

upstream raw materials:

5-acetyl-4-fluoro-3-cyclohexenone

3-bromo-4-fluorophenol

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