1-(4-Fluorophenyl)-2-hydroxyethanone

Base Information

• Chemical Name: 1-(4-Fluorophenyl)-2-hydroxyethanone
• CAS No.: 403-31-6
• Molecular Formula: C8H7 F O2
• Molecular Weight: 154.141
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00384610
• Nikkaji Number: J2.387.756B
• Wikidata: Q82176859
• Mol file: 403-31-6.mol

Synonyms:403-31-6;1-(4-fluorophenyl)-2-hydroxyethanone;1-(4-Fluorophenyl)-2-hydroxy-1-ethanone;4'-Fluoro-2-hydroxyacetophenone;1-(4-fluorophenyl)-2-hydroxyethan-1-one;2-hydroxy-4'-fluoroacetophenone;MFCD02679035;Ethanone, 1-(4-fluorophenyl)-2-hydroxy-;Maybridge3_001963;SCHEMBL1094528;DTXSID00384610;CCNZMIDUTPQMIK-UHFFFAOYSA-N;AM982;HMS1436J05;alpha-Hydroxy-4'-fluoroacetophenone;CCG-49745;AKOS005069346;MB02453;IDI1_013350;CS-0213503;FT-0632098;F87893;A825055;10Y-0727;J-503307;SR-01000639183-1

Chemical Property of 1-(4-Fluorophenyl)-2-hydroxyethanone

Chemical Property:

• Melting Point: 31 °C
• Boiling Point: 260.5 °C at 760 mmHg
• Flash Point: 111.3 °C
• PSA: 37.30000
• Density: 1.256 g/cm³
• LogP: 1.00070
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Fluorophenyl)-2-hydroxy-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXi
• Hazard Codes: Xi,F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CO)F

Technology Process of 1-(4-Fluorophenyl)-2-hydroxyethanone

There total 27 articles about 1-(4-Fluorophenyl)-2-hydroxyethanone 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: 97.0%

1-(4-Fluorophenyl)ethanol (403-41-8) + 3,3-dimethyldioxirane (74087-85-7) → 4-fluoro-2-hydroxy-acetophenone (403-31-6) + 1-(4-fluorophenyl)ethanone (403-42-9)

Guidance literature:

In acetone; at 25 ℃; for 3h;

DOI:10.1016/S0040-4039(00)78488-7

Reference yield: 95.5%

2-Chloro-4'-fluoroacetophenone (456-04-2) → 4-fluoro-2-hydroxy-acetophenone (403-31-6)

Guidance literature:

With potassium iodide; sodium hydroxide; In dimethyl sulfoxide; at 100 ℃; for 5h;

Reference yield: 92.0%

2-bromo-4'-fluoroacetophenone (403-29-2) → 4-fluoro-2-hydroxy-acetophenone (403-31-6)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; oxygen; In dimethyl sulfoxide; at 20 ℃; for 18h; UV-irradiation; Green chemistry;

DOI:10.1002/adsc.201500734

upstream raw materials:

α-acetoxy-4-fluoroacetophenone

1-(4-fluorophenyl)ethanone

1-(4-Fluorophenyl)ethanol

3,3-dimethyldioxirane

Downstream raw materials:

4-(4-fluorophenyl)-5H-[1,2,3]oxathiazole 2,2-dioxide

2-Chloro-4'-fluoroacetophenone

2-(4-fluorophenyl)quinoxaline

1-(4-fluorophenyl)-2-(2-propenyloxy)ethanone

Refernces

• 1、 Pan, Ting,Gao, Xing,Yang, Sen,Wang, Lan,Hu, Yimin,Liu, Min,Wang, Wei,Wu, Yongjun,Zheng, Bing,Guo, Hongchao. "Palladium-Catalyzed (3+3) Annulation of Allenylethylene Carbonates with Nitrile Oxides". supporting information. p. 5750 - 5754. Retrieved 2021/08/16.
• 2、 Wang, Lei,Song, Wei,Wang, Binju,Zhang, Yan,Xu, Xin,Wu, Jing,Gao, Cong,Liu, Jia,Chen, Xiulai,Chen, Jinghua,Liu, Liming. "One-Pot Enzymatic-Chemical Cascade Route for Synthesizing Aromatic α-Hydroxy Ketones". . p. 2808 - 2818. Retrieved 2021/03/15.