4'-Fluoroacetophenone

Base Information

• Chemical Name: 4'-Fluoroacetophenone
• CAS No.: 403-42-9
• Molecular Formula: C8H7FO
• Molecular Weight: 138.141
• Hs Code.: 29147090
• European Community (EC) Number: 206-960-9
• NSC Number: 30635
• UNII: TVQ090602V
• DSSTox Substance ID: DTXSID0059952
• Nikkaji Number: J31.092A
• Wikidata: Q27290448
• ChEMBL ID: CHEMBL257923
• Mol file: 403-42-9.mol

Synonyms:4'-Fluoroacetophenone;403-42-9;1-(4-Fluorophenyl)ethanone;4-FLUOROACETOPHENONE;p-Fluoroacetophenone;1-(4-Fluorophenyl)Ethan-1-One;Ethanone, 1-(4-fluorophenyl)-;Acetophenone, 4'-fluoro-;UNII-TVQ090602V;1-(4-fluoro-phenyl)-ethanone;CHEMBL257923;TVQ090602V;EINECS 206-960-9;NSC 30635;NSC-30635;1-acetyl-4-fluorobenzene;p-fluoro acetophenone;MFCD00000354;1-(4-fluorophenyl) ethanone;4-fluoracetophenone;NSC30635;4'-fluoracetophenone;4'-fluoroactophenone;4- fluoroacetophenone;4-fluoro acetophenone;4-fluoroaceto phenone;P-FLUOROHYPNONE;para-Fluoroacetophenone;4' -fluoroacetophenone;4'-fluoro-acetophenone;4/'-Fluoroacetophenone;1-fluoro-4-acetyl-benzene;4-fluorophenyl methyl ketone;4-FLUOROPHENYLETHANAL;SCHEMBL54677;1-(4'-fluorophenyl)ethanone;1-(4-fluorophenyl)-ethanone;4'-Fluoroacetophenone, 99%;4-ACETYLPHENYL FLUORIDE;1-(4-Fluorophenyl)ethanone #;DTXSID0059952;SCHEMBL13341603;ZDPAWHACYDRYIW-UHFFFAOYSA-;METHYL 4-FLUOROPHENYL KETONE;BDBM50376210;STK328125;AKOS000119732;AC-3641;CS-W020117;PS-9091;A6754;AM20060153;F0261;FT-0618439;EN300-18001;D70558;1-(4-fluorophenyl)ethanone;W-106360;BROMPERIDOL DECANOATE IMPURITY L [EP IMPURITY];HALOPERIDOL DECANOATE IMPURITY L [EP IMPURITY];Q27290448;Z57127466;F0001-1142

Chemical Property of 4'-Fluoroacetophenone

Chemical Property:

• Appearance/Colour: Clear colorless to slightly yellow liquid
• Melting Point: 4 °C
• Refractive Index: n20/D 1.511(lit.)
• Boiling Point: 196.7 °C at 760 mmHg
• Flash Point: 73.6 °C
• PSA: 17.07000
• Density: 1.103 g/cm³
• LogP: 2.02830
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.048093005
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

4''-Fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-23

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones, Halogenated
• Canonical SMILES: CC(=O)C1=CC=C(C=C1)F
• Uses: 4’Fluoroacetophenone is an intermediate used for the synthetic preparation of various pharmaceutical good and agricultural products. 4-Fluoroacetophenone can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes. 4’-Fluoroacetophenone is an intermediate used for the synthetic preparation of various pharmaceutical good and agricultural products.

Technology Process of 4'-Fluoroacetophenone

There total 184 articles about 4'-Fluoroacetophenone 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%

1-ethyl-4-fluorobenzene (459-47-2) → 1-(4-Fluorophenyl)ethanol (403-41-8) + 1-(4-fluorophenyl)ethanone (403-42-9)

Guidance literature:

With cerium(III) sulfate; barium bromate; In water; acetonitrile; for 2.2h; Title compound not separated from byproducts; Heating;

DOI:10.1081/SCC-120020194

Reference yield: 72.0%

methanol (67-56-1) + 2-(4-fluorophenyl)-1-propene (350-40-3) → methyl 4-flurobenzoate (403-33-8) + 1-(4-fluorophenyl)ethanone (403-42-9)

Guidance literature:

2-(4-fluorophenyl)-1-propene; With ozone; In methanol; at 20 ℃;

methanol; With dihydrogen peroxide; at 20 ℃;

DOI:10.1021/ol102984h

Reference yield: 51.0%

4-acetylphenylboronic acid (149104-90-5) → 1-(4-fluorophenyl)ethanone (403-42-9) + 1-(3-fluorophenyl)ethanone (455-36-7)

Guidance literature:

With acetyl hypofluorite; In acetic acid; acetonitrile; at 0 - 20 ℃; for 0.333333h;

DOI:10.1021/jo401832f

upstream raw materials:

fluorobenzene

acetic anhydride

acetyl chloride

diethyl ether

Downstream raw materials:

(4-fluoro-phenyl)-(octahydro-pyrido[2,1-c][1,4]oxazepin-4-yl)-methanone

C₁₄H₁₉Cl₂FOSi

[4,4-Dichloro-1-(4-fluoro-phenyl)-1-methyl-but-3-enyloxy]-trimethyl-silane

((1-(4-fluorophenyl)vinyl)oxy)trimethylsilane

Refernces

• 1、 Vi?a-Gonzalez, Javier,Jimenez-Lalana, Diego,Sancho, Ferran,Serrano, Ana,Martinez, Angel T.,Guallar, Victor,Alcalde, Miguel. "Structure-Guided Evolution of Aryl Alcohol Oxidase from Pleurotus eryngii for the Selective Oxidation of Secondary Benzyl Alcohols". . p. 2514 - 2525. Retrieved 2019.
• 2、 Geng, Haoxing,Liu, Xin,Zhu, Qing. "Visible light-mediated, high-efficiency oxidation of benzyl to acetophenone catalyzed by fluorescein". supporting information. . Retrieved 2021/12/20.
• 3、 Tian, Yangwu,Guo, Xiaqun,Li, Meichao,Li, Chunmei,Hu, Xinquan,Jin, Liqun,Sun, Nan,Hu, Baoxiang,Shen, Zhenlu. "SBA-15 Supported 1-Methyl-2-azaadamanane N-Oxyl (1-Me-AZADO) as Recyclable Catalyst for Oxidation of Alcohol". supporting information. p. 3928 - 3932. Retrieved 2021/05/26.