3'-Fluoro-2'-hydroxyacetophenone

Base Information

• Chemical Name: 3'-Fluoro-2'-hydroxyacetophenone
• CAS No.: 699-92-3
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 2914700090
• European Community (EC) Number: 642-824-9
• DSSTox Substance ID: DTXSID60444608
• Nikkaji Number: J3.388.032D
• Wikidata: Q72479895
• Mol file: 699-92-3.mol

Synonyms:3'-Fluoro-2'-hydroxyacetophenone;699-92-3;1-(3-fluoro-2-hydroxyphenyl)ethanone;1-(3-Fluoro-2-hydroxy-phenyl)-ethanone;C8H7FO2;MFCD09055140;1-(3-fluoro-2-hydroxyphenyl)ethan-1-one;Ethanone, 1-(3-fluoro-2-hydroxyphenyl)-;SCHEMBL1041622;DTXSID60444608;3`-Fluoro-2`-hydroxyacetophenone;WXTHZWWWCICGAN-UHFFFAOYSA-N;AKOS006227685;FS-2386;SB38378;1-(3-fluoro-2-hydroxyphenyl) ethanone;SY008708;A9252;CS-0044517;FT-0647248;EN300-132284;3 inverted exclamation mark -Fluoro-2 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 3'-Fluoro-2'-hydroxyacetophenone

Chemical Property:

• Vapor Pressure: 0.144mmHg at 25°C
• Melting Point: 72-73 °C
• Refractive Index: 1.53
• Boiling Point: 209.004 °C at 760 mmHg
• PKA: 8.90±0.10(Predicted)
• Flash Point: 80.203 °C
• PSA: 37.30000
• Density: 1.247 g/cm³
• LogP: 1.73390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• 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:

98%,99%, ^*data from raw suppliers

3''-Fluoro-2''-hydroxyacetophenone ^*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)F)O

Technology Process of 3'-Fluoro-2'-hydroxyacetophenone

There total 6 articles about 3'-Fluoro-2'-hydroxyacetophenone 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: 58.0%

2-fluorophenyl acetate (29650-44-0) → 2-fluorophenol (367-12-4) + 3-fluoro-4-hydroxyacetophenone (403-14-5) + 1-(3-fluoro-2-hydroxyphenyl)-ethanone (699-92-3)

Guidance literature:

With aluminum (III) chloride; In chlorobenzene; at 120 ℃; Solvent; Temperature; Inert atmosphere; Large scale;

DOI:10.1016/j.tetlet.2014.02.119

Reference yield: 38.6%

2-fluorophenyl acetate (29650-44-0) → 3-fluoro-4-hydroxyacetophenone (403-14-5) + 1-(3-fluoro-2-hydroxyphenyl)-ethanone (699-92-3)

Guidance literature:

With aluminium trichloride; In various solvent(s); at 100 ℃; for 24h;

DOI:10.1021/jo0008340

Reference yield: 29.5%

2-fluorophenyl acetate (29650-44-0) → 1-(3-fluoro-2-hydroxyphenyl)-ethanone (699-92-3)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-benzene; at 100 ℃; for 16h;

upstream raw materials:

2-fluorophenyl acetate

2-fluorophenol

acetyl chloride

Downstream raw materials:

2-ethoxy-3-fluoroacetophenone

3-fluorocatechol

2,3-diethoxyfluorobenzene

2-ethoxy-3-fluorophenol

Refernces

• 1、 Lin, Jian,Li, Yitao,Hu, Xiaoyun,Chi, Weilin,Zeng, Shuiming,Xu, Junxing. "Discovery of novel 3-{[(5,5-dimethyl-4,5-dihydroisoxazol-3-yl)sulfonyl]methyl}benzo[d]isoxazole analogs as promising very long chain fatty acids inhibitors". . p. 226 - 240. Retrieved 2020/10/19.
• 2、 -. "ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION". Paragraph 00222. . Retrieved 2019/04/26.