Ethyl 4-oxo-4-(4-phenoxyphenyl)butyrate

Base Information

• Chemical Name: Ethyl 4-oxo-4-(4-phenoxyphenyl)butyrate
• CAS No.: 52888-63-8
• Molecular Formula: C₁₈H₁₈O₄
• Molecular Weight: 298.339
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10503956
• Wikidata: Q82358110
• Mol file: 52888-63-8.mol

Synonyms:ETHYL 4-OXO-4-(4-PHENOXYPHENYL)BUTYRATE;52888-63-8;ethyl 4-oxo-4-(4-phenoxyphenyl)butanoate;MFCD01320257;SCHEMBL11822828;DTXSID10503956;CCA88863;AKOS016023097;ETHYL4-OXO-4-(4-PHENOXYPHENYL)BUTYRATE

Chemical Property of Ethyl 4-oxo-4-(4-phenoxyphenyl)butyrate

Chemical Property:

• Vapor Pressure: 5.69E-08mmHg at 25°C
• Boiling Point: 440.9°C at 760 mmHg
• Flash Point: 194.3°C
• PSA: 52.60000
• Density: 1.142g/cm³
• LogP: 4.00490
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 298.12050905
• Heavy Atom Count: 22
• Complexity: 352

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-oxo-4-(4-phenoxyphenyl)butyrate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-oxo-4-(4-phenoxyphenyl)butyrate

There total 2 articles about Ethyl 4-oxo-4-(4-phenoxyphenyl)butyrate 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:

diphenylether (101-84-8) + ethyl 3-(chloroformyl)propionate (14794-31-1,97900-84-0) → ethyl 3-(4-phenoxybenzoyl)propionate (52888-63-8)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 ℃; for 3h;

DOI:10.1248/cpb.51.138

Reference yield:

→ ethyl 3-(4-phenoxybenzoyl)propionate (52888-63-8)

Guidance literature:

/BRN= 2701697/;

Reference yield:

ethyl 3-(4-phenoxybenzoyl)propionate (52888-63-8) → ethyl 2-<2-methyl-4-(4-phenoxyphenyl)-5-thiazolyl>acetate (105769-32-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂

2: pyridine / methanol / 2 h / Heating

With pyridine; bromine; In methanol;

DOI:10.1248/cpb.34.701

upstream raw materials:

diphenylether

ethyl 3-(chloroformyl)propionate

Downstream raw materials:

ethyl 3-bromo-3-(4-phenoxybenzoyl)propionate

ethyl (E)-4-(hydroxyimino)-4-(4-phenoxyphenyl)butyrate

ethyl (E)-4-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyloxyimino}-4-(4-phenoxyphenyl)butyrate

ethyl 2-<2-methyl-4-(4-phenoxyphenyl)-5-thiazolyl>acetate

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