Ethyl 4-phenoxybenzoate

Base Information

• Chemical Name: Ethyl 4-phenoxybenzoate
• CAS No.: 31994-68-0
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• DSSTox Substance ID: DTXSID201346283
• Nikkaji Number: J354.616K
• Wikidata: Q63393312
• Mol file: 31994-68-0.mol

Synonyms:Ethyl 4-phenoxybenzoate;4-Phenoxybenzoic acid ethyl ester;31994-68-0;SCHEMBL1730420;GJDBBHASMUCGME-UHFFFAOYSA-N;DTXSID201346283;MFCD00496636;AKOS003235600;4-Phenoxybenzoic acid ethyl ester, 97%;Q63393312

Chemical Property of Ethyl 4-phenoxybenzoate

Chemical Property:

• PSA: 35.53000
• LogP: 3.65560
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 251

Purity/Quality:

4-Phenoxybenzoicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-phenoxybenzoate

There total 14 articles about Ethyl 4-phenoxybenzoate 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%

Ethyl 4-hydroxybenzoate (120-47-8) + chlorobenzene (108-90-7) → 4-phenoxybenzoic acid ethyl ester (31994-68-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 12h;

DOI:10.1002/adsc.201000977

Reference yield: 97.0%

ethyl 4-chlorobenzoate (7335-27-5) + phenol (108-95-2,27073-41-2) → 4-phenoxybenzoic acid ethyl ester (31994-68-0)

Guidance literature:

With di-tert-butyl{2′-isopropoxy-[1,1′-binaphthalen]-2-yl}phosphane; potassium phosphate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 110 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.tet.2015.05.104

Reference yield: 97.0%

Ethyl 4-hydroxybenzoate (120-47-8) + diphenyliodonium tetrafluoroborate → 4-phenoxybenzoic acid ethyl ester (31994-68-0)

Guidance literature:

Ethyl 4-hydroxybenzoate; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.25h;

diphenyliodonium tetrafluoroborate; In tetrahydrofuran; at 40 ℃; for 1h;

DOI:10.1021/ol200265t

upstream raw materials:

ethanol

4-Phenoxybenzoic acid

4-fluorobenzoic acid ethyl ester

phenol

Downstream raw materials:

4-phenoxy-benzoic acid hydrazide

tert-butyl 3-oxo-3-(4-phenoxyphenyl)propanoate

N-(3-chlorophenyl)-4-phenoxybenzamide

4-phenoxybenzoyl chloride