Ethyl 3-oxo-3-(2-phenoxyphenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-oxo-3-(2-phenoxyphenyl)propanoate
• CAS No.: 119031-24-2
• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.312
• DSSTox Substance ID: DTXSID50375078
• Wikidata: Q82163618
• Mol file: 119031-24-2.mol

Synonyms:ethyl 3-oxo-3-(2-phenoxyphenyl)propanoate;119031-24-2;3-oxo-3-(2-phenoxyphenyl)propionic acid ethyl ester;SCHEMBL7454665;DTXSID50375078;3-oxo-3-(2-phenoxyphenyl)Propanoic acid ethyl ester

Chemical Property of Ethyl 3-oxo-3-(2-phenoxyphenyl)propanoate

Chemical Property:

• Boiling Point: 152-154 °C(Press: 0.03 Torr)
• PKA: 10.10±0.46(Predicted)
• Density: 1.162±0.06 g/cm3(Predicted)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

3-OXO-3-(2-PHENOXY-PHENYL)-PROPIONICACIDETHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1OC2=CC=CC=C2

Technology Process of Ethyl 3-oxo-3-(2-phenoxyphenyl)propanoate

There total 2 articles about Ethyl 3-oxo-3-(2-phenoxyphenyl)propanoate 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: 70.0%

3-Oxo-2-(2-phenoxy-benzoyl)-butyric acid ethyl ester → 3-Oxo-3-(2-phenoxy-phenyl)-propionic acid ethyl ester (119031-24-2)

Guidance literature:

With ammonium hydroxide; sodium hydroxide; water; ammonium chloride; at 50 ℃; for 3h;

Reference yield:

2-phenoxybenzoyl chloride (40501-36-8) → 3-Oxo-3-(2-phenoxy-phenyl)-propionic acid ethyl ester (119031-24-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) Mg, EtOH / 1) CCl₄, toluene; 2) -5 to 0 deg C

2: 70 percent / NaOH, H₂O, NH₄Cl, conc. NH₄OH / 3 h / 50 °C

With ammonium hydroxide; sodium hydroxide; ethanol; water; ammonium chloride; magnesium;

upstream raw materials:

2-phenoxybenzoyl chloride

Refernces