2-Phenoxyacetophenone

Base Information

• Chemical Name: 2-Phenoxyacetophenone
• CAS No.: 721-04-0
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 2914509090
• European Community (EC) Number: 660-275-3
• NSC Number: 7586
• DSSTox Substance ID: DTXSID80992818
• Nikkaji Number: J274.055I
• Wikidata: Q27123418
• Metabolomics Workbench ID: 58241
• ChEMBL ID: CHEMBL239513
• Mol file: 721-04-0.mol

Synonyms:2-phenoxy-1-phenylethanone

Chemical Property of 2-Phenoxyacetophenone

Chemical Property:

• Vapor Pressure: 2.08E-05mmHg at 25°C
• Melting Point: 71.0 to 75.0 °C
• Boiling Point: 361.3°Cat760mmHg
• Flash Point: 166.8°C
• PSA: 26.30000
• Density: 1.12g/cm³
• LogP: 2.94830
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

99.5% ^*data from raw suppliers

2-Phenoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2

Technology Process of 2-Phenoxyacetophenone

There total 93 articles about 2-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: 52.0%

2-phenoxy-1-phenylethanol (4249-72-3) → 2-phenoxy-1-phenylethanone (721-04-0) + acetophenone (98-86-2) + phenol (108-95-2,27073-41-2)

Guidance literature:

With Ni-decorated ultrathin CdS nanosheets; In water; at 20 ℃; for 0.5h; Inert atmosphere; Irradiation;

DOI:10.1021/acscatal.9b02842

Reference yield: 45.3%

methanol (67-56-1) + 2-phenoxy-1-phenylethanol (4249-72-3) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 2-phenoxy-1-phenylethanone (721-04-0) + phenol (108-95-2,27073-41-2)

Guidance literature:

With oxygen; at 179.84 ℃; for 4h; under 7500.75 Torr; Autoclave;

DOI:10.1039/c9ra04838c

Reference yield: 45.1%

methanol (67-56-1) + 2-phenoxy-1-phenylethanol (4249-72-3) → methyl 2-oxo-2-phenylacetate (15206-55-0) + 2-phenoxy-1-phenylethanone (721-04-0) + benzaldehyde dimethyl acetal (1125-88-8) + benzoic acid (65-85-0,8013-63-6) + phenol (108-95-2,27073-41-2)

Guidance literature:

With oxygen; at 179.84 ℃; for 4h; under 7500.75 Torr; Autoclave;

DOI:10.1039/c9ra04838c

upstream raw materials:

phenoxyacetonitrile

sodium phenoxide

1-chloroacetophenone

potassium phenolate

Downstream raw materials:

3-phenoxy-2-phenyl-quinoline-4-carboxylic acid

2-phenoxy-1-phenylethanol

2-phenoxy-1,1-diphenyl-ethanol

1-biphenyl-2-yl-2-phenoxy-1-phenyl-ethanol

Refernces

• 1、 Ahsan Usman, Muhammad,Naeem, Maham,Saeed, Muhammad,Zaheer, Muhammad. "Catalytic C–O bond cleavage in a β-O-4 lignin model through intermolecular hydrogen transfer". . . Retrieved 2021/03/22.
• 2、 Brauer, Jan,Quraishi, Elisabeth,Kammer, Lisa Marie,Opatz, Till. "Nickel-Mediated Photoreductive Cross Coupling of Carboxylic Acid Derivatives for Ketone Synthesis**". supporting information. p. 18168 - 18174. Retrieved 2021/11/30.