Ethanone, 1-(3-phenoxyphenyl)-

Base Information

• Chemical Name: Ethanone, 1-(3-phenoxyphenyl)-
• CAS No.: 32852-92-9
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 2914509090
• European Community (EC) Number: 251-259-3
• UNII: NPG6N28WZQ
• DSSTox Substance ID: DTXSID4067727
• Nikkaji Number: J47.632C
• Wikidata: Q63393019
• Mol file: 32852-92-9.mol

Synonyms:1-(3-Phenoxyphenyl)ethanone;32852-92-9;Ethanone, 1-(3-phenoxyphenyl)-;1-(3-Phenoxyphenyl)ethan-1-one;3'-Phenoxyacetophenone;3-Phenoxyacetophenone;m-Phenoxyacetophenone;EINECS 251-259-3;BRN 2329942;ACETOPHENONE, 3'-PHENOXY-;3-Acetyldiphenyl ether;m-phenoxy-acetophenone;NPG6N28WZQ;3-ACETYLDIPHENYLETHER;3-Phenoxyphenyl methyl ketone;SCHEMBL2350424;DTXSID4067727;Ethanone,1-(3-phenoxyphenyl)-;MFCD08543460;AKOS015917075;AB90692;PS-6136;CS-0208020;FT-0639059;EN300-1865104;A821459;Q63393019

Chemical Property of Ethanone, 1-(3-phenoxyphenyl)-

Chemical Property:

• Vapor Pressure: 5.24E-05mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 333.2 °C at 760 mmHg
• Flash Point: 147.8 °C
• PSA: 26.30000
• Density: 1.108 g/cm³
• LogP: 3.68150
• 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: 231

Purity/Quality:

98%min ^*data from raw suppliers

3'-Phenoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethanone, 1-(3-phenoxyphenyl)-

There total 11 articles about Ethanone, 1-(3-phenoxyphenyl)- 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: 99.0%

3-Hydroxyacetophenone (121-71-1) + triphenylbismuthane (603-33-8) → 3'-phenoxyacetophenone (32852-92-9)

Guidance literature:

With copper diacetate; triethylamine; In dichloromethane; at 50 ℃; for 3h; Reagent/catalyst; Time; Sealed tube;

DOI:10.1002/chem.201303684

Reference yield: 89.0%

1-(3-Bromophenyl)ethanone (2142-63-4) + phenol (108-95-2,27073-41-2) → 3'-phenoxyacetophenone (32852-92-9)

Guidance literature:

With potassium carbonate; acetylacetone; copper(I) bromide; In N,N-dimethyl-formamide; at 120 ℃; for 7h;

Reference yield: 84.0%

iodobenzene (591-50-4) + 3-Hydroxyacetophenone (121-71-1) → 3'-phenoxyacetophenone (32852-92-9)

Guidance literature:

With copper(l) iodide; C₁₄H₈F₆N₂O; caesium carbonate; In Isopropyl acetate; at 110 ℃; for 24h; Solvent; Catalytic behavior; Green chemistry;

DOI:10.1039/c6ra02265k

upstream raw materials:

bromobenzene

sodium 3-acetylphenoxide

3-Hydroxyacetophenone

phenylboronic acid

Downstream raw materials:

4-(m-phenoxyphenyl)-2-pentanone

4-hydroxy-1-methyl-7-phenoxyisoquinolinyl-3-carboxylic acid methyl ester

(RS)-1-(3-phenoxyphenyl)ethanol

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

Refernces

• 1、 Chen, Hekai,Kong, Jun,Li, Tian,Xu, Qun,Yin, Hang,Zhang, Liwei. "Design and optimisation of a small-molecule TLR2/4 antagonist for anti-tumour therapy". supporting information. p. 1771 - 1779. Retrieved 2021/11/19.
• 2、 -. "Novel method for high-yield preparation of roxadustat intermediate". Paragraph 0042-0045. . Retrieved 2021/08/14.