3'-Fluoro-4'-hydroxyacetophenone

Base Information

• Chemical Name: 3'-Fluoro-4'-hydroxyacetophenone
• CAS No.: 403-14-5
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 2914700090
• European Community (EC) Number: 642-476-8
• DSSTox Substance ID: DTXSID70371991
• Nikkaji Number: J1.028.041I
• Wikidata: Q72479902
• Mol file: 403-14-5.mol

Synonyms:3'-Fluoro-4'-hydroxyacetophenone;403-14-5;1-(3-fluoro-4-hydroxyphenyl)ethanone;3-FLUORO-4-HYDROXYACETOPHENONE;1-(3-fluoro-4-hydroxyphenyl)-1-ethanone;1-(3-fluoro-4-hydroxyphenyl)ethan-1-one;1-(3-FLUORO-4-HYDROXY-PHENYL)-ETHANONE;Ethanone, 1-(3-fluoro-4-hydroxyphenyl)-;MFCD00215840;1-(3-fluoro-4-hydroxy-phenyl)ethanone;3//'-Fluoro-4//'-hydroxyacetophenone;SCHEMBL661197;DTXSID70371991;3`-Fluoro-4`-hydroxyacetophenone;GSWTXZXGONEVJC-UHFFFAOYSA-N;3/'-Fluoro-4/'-hydroxyacetophenone;3\'-Fluoro-4\'-hydroxyacetophenone;BBL100073;STL215803;AKOS002338354;CS-W002525;SB37058;SY008859;1-(3-fluoranyl-4-oxidanyl-phenyl)ethanone;AM20040410;F0843;FT-0615684;3'-Fluoro-4'-hydroxyacetophenone, AldrichCPR;EN300-68878;3X-0862;A825049;AN-651/43112602;J-503141;Z385458772;3 inverted exclamation mark -Fluoro-4 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 3'-Fluoro-4'-hydroxyacetophenone

Chemical Property:

• Appearance/Colour: White Solid
• Melting Point: 127-129 °C
• Boiling Point: 276.1 °C at 760 mmHg
• PKA: 6.91±0.18(Predicted)
• Flash Point: 120.8 °C
• PSA: 37.30000
• Density: 1.247 g/cm³
• LogP: 1.73390
• Storage Temp.: Sealed in dry,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:

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

3''-Fluoro-4''-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)O)F
• Uses: 3''-Fluoro-4''-hydroxyacetophenone

Technology Process of 3'-Fluoro-4'-hydroxyacetophenone

There total 16 articles about 3'-Fluoro-4'-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: 94.0%

2-fluorophenyl acetate (29650-44-0) → 3-fluoro-4-hydroxyacetophenone (403-14-5)

Guidance literature:

With trifluorormethanesulfonic acid; at 40 ℃; for 16h; Cooling with ice;

DOI:10.1039/d1cc04408g

Reference yield: 88.0%

aluminum tri-bromide + 1-(3-fluoro-4-methoxyphenyl)ethanone (455-91-4) → 3-fluoro-4-hydroxyacetophenone (403-14-5)

Guidance literature:

In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; toluene;

Reference yield: 80.0%

2-(2-fluoro-4-acetylphenoxy)pyridine → 3-fluoro-4-hydroxyacetophenone (403-14-5)

Guidance literature:

2-(2-fluoro-4-acetylphenoxy)pyridine; With methyl trifluoromethanesulfonate; In toluene; at 100 ℃; for 2h; Inert atmosphere;

With sodium ethanolate; for 1h; Reflux; Inert atmosphere;

upstream raw materials:

2-fluorophenyl acetate

1-(3-fluoro-4-methoxyphenyl)ethanone

2-fluorophenol

acetyl chloride

Downstream raw materials:

1-(3-fluoro-4-methoxyphenyl)ethanone

1-(4-(benzyloxy)-3-fluorophenyl)ethan-1-one

4-[2-(4-acetyl-2-fluoro-phenoxy)-ethyl]-piperazine-1-carboxylic acid ethyl ester

3-fluoro-p-anisic acid

Refernces

• 1、 -. "Phenol compound ortho-position direct fluorination method". Paragraph 0070-0072. . Retrieved 2020/04/17.
• 2、 Wang, Xuekun,Zhao, Tianxiao,Yang, Baowei,Li, Zheng,Cui, Jian,Dai, Yuxuan,Qiu, Qianqian,Qiang, Hao,Huang, Wenlong,Qian, Hai. "Synthesis and biological evaluation of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists". . p. 132 - 140. Retrieved 2015/02/18.