4'-Phenoxyacetophenone

Base Information

• Chemical Name: 4'-Phenoxyacetophenone
• CAS No.: 5031-78-7
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 29145090
• European Community (EC) Number: 627-422-3
• NSC Number: 39658
• DSSTox Substance ID: DTXSID60284900
• Nikkaji Number: J685.126F
• Wikidata: Q72500943
• Mol file: 5031-78-7.mol

Synonyms:4'-Phenoxyacetophenone;5031-78-7;1-(4-Phenoxyphenyl)ethanone;4-Phenoxyacetophenone;p-Phenoxyacetophenone;1-(4-phenoxyphenyl)ethan-1-one;Ethanone, 1-(4-phenoxyphenyl)-;4-Acetyldiphenyl Ether;MFCD00008744;Ethanone,1-(4-phenoxyphenyl)-;1-(4-phenoxyphenyl)-1-ethanone;NSC39658;SCHEMBL167640;4'-Phenoxyacetophenone, 98%;1-(4-phenoxy-phenyl)-ethanone;1-(4-Phenoxyphenyl)ethanone #;DTXSID60284900;CK2558;NSC 39658;NSC-39658;AKOS000120978;FS-1557;AMY202003291;SY048374;BB 0221148;CS-0009398;EU-0066923;FT-0619365;P1355;EN300-16754;4 inverted exclamation mark -Phenoxyacetophenone;SR-01000390201;SR-01000390201-1;Z56763633;F0790-0116

Chemical Property of 4'-Phenoxyacetophenone

Chemical Property:

• Appearance/Colour: light yellow powder
• Melting Point: 50-52 °C(lit.)
• Refractive Index: 1.5570 (estimate)
• Boiling Point: 345.9 °C at 760 mmHg
• Flash Point: 148.9 °C
• PSA: 26.30000
• Density: 1.108 g/cm³
• LogP: 3.68150
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: insoluble
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

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

4''-Phenoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Technology Process of 4'-Phenoxyacetophenone

There total 43 articles about 4'-Phenoxyacetophenone 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: 98.0%

para-chloroacetophenone (99-91-2) + phenol (108-95-2,27073-41-2) → 4-phenoxyacetophenone (5031-78-7)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 - 110 ℃;

DOI:10.1021/jo901462g

Reference yield: 98.0%

4-Iodoacetophenone (13329-40-3) + phenol (108-95-2,27073-41-2) → 4-phenoxyacetophenone (5031-78-7)

Guidance literature:

With caesium carbonate; In tetrahydrofuran; at 150 ℃; for 3h; Catalytic behavior; Inert atmosphere;

DOI:10.1016/S1872-2067(17)62785-2

Reference yield: 98.0%

para-bromoacetophenone (99-90-1) + phenol (108-95-2,27073-41-2) → 4-phenoxyacetophenone (5031-78-7)

Guidance literature:

With potassium phosphate; 2-((di-adamantan-1-yl)phosphaneyl)-1-(2,6-diisopropylphenyl)-1H-imidazole; palladium diacetate; In toluene; at 100 ℃; for 10h; Inert atmosphere;

DOI:10.1039/b915249k

upstream raw materials:

diphenylether

acetic anhydride

sodium phenoxide

para-bromoacetophenone

Downstream raw materials:

(E)-3-(4-methoxyphenyl)-1-(4-phenoxyphenyl)prop-2-en-1-one

(E)-3-(4-Phenoxy-phenyl)-but-2-enoic acid methyl ester

p-phenoxyphenylacetic acid thiomorpholide

1-(4-ethynylphenoxy)benzene

Refernces

• 1、 Zhu, Da-Liang,Jiang, Shan,Wu, Qi,Wang, Hao,Li, Hai-Yan,Li, Hong-Xi. "Nickel-Catalyzed Etherification of Phenols and Aryl Halides through Visible-Light-Induced Energy Transfer". supporting information. p. 8327 - 8332. Retrieved 2021/10/25.
• 2、 Liu, Le,Nevado, Cristina. "Diaryl Ether Formation Merging Photoredox and Nickel Catalysis". supporting information. p. 2188 - 2193. Retrieved 2021/05/04.