Phenyl 3-phenylpropanoate

Base Information

• Chemical Name: Phenyl 3-phenylpropanoate
• CAS No.: 726-26-1
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• DSSTox Substance ID: DTXSID00222922
• Nikkaji Number: J603.404G
• Wikidata: Q65224897
• Mol file: 726-26-1.mol

Synonyms:phenyl 3-phenylpropanoate;Phenyl benzenepropanoate;726-26-1;Benzenepropanoic acid, phenyl ester;3-Phenylpropionic acid, phenyl ester;phenyl 3-phenylpropionate;SCHEMBL1050111;DTXSID00222922;Benzenepropionic acid phenyl ester;AKOS002947548;AO-854/40912258;Q65224897

Chemical Property of Phenyl 3-phenylpropanoate

Chemical Property:

• Boiling Point: 147-150 °C(Press: 1 Torr)
• PSA: 26.30000
• Density: 1.107±0.06 g/cm3(Predicted)
• LogP: 3.22480
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenyl 3-phenylpropanoate

There total 37 articles about Phenyl 3-phenylpropanoate 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: 100.0%

3-Phenylpropionic acid (501-52-0) + phenol (108-95-2,27073-41-2) → phenyl 3-phenylpropanoate (726-26-1)

Guidance literature:

With dmap; trimethylsilylethoxyacetylene; mercury(II) oxide; In 1,2-dichloro-ethane; at 40 ℃; for 0.5h;

DOI:10.1055/s-1989-27248

Reference yield: 99.0%

hydrocinnamic acid chloride (645-45-4) + phenol (108-95-2,27073-41-2) → phenyl 3-phenylpropanoate (726-26-1)

Guidance literature:

With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate; In potassium hydroxide; at 20 - 25 ℃; for 1.5h; pH=11.5;

DOI:10.1002/adsc.200600256

Reference yield: 99.0%

phenyltrimethylsilyl ether (1529-17-5) + trimethylsilyl ester of hydrocinnamic acid (21273-15-4) → phenyl 3-phenylpropanoate (726-26-1)

Guidance literature:

With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1246/cl.1992.1747

upstream raw materials:

1-chloro-3-phenylpropan-2-one

sodium phenoxide

hydrocinnamic acid chloride

phenol

Downstream raw materials:

3-phenylpropionate

phenol

tetradecylamine

3-Phenyl-1-propanol

Refernces

• 1、 Ciofini, Ilaria,Force, Guillaume,Leb?uf, David,Mayer, Robert J.,Perfetto, Anna. "Macrolactonization Reactions Driven by a Pentafluorobenzoyl Group**". supporting information. p. 19843 - 19851. Retrieved 2021/08/13.
• 2、 ?ervenková ??astná, Lucie,Bílková, Veronika,Cézová, Tereza,Cu?ínová, Petra,Karban, Jind?ich,?ermák, Jan,Krupková, Alena,Stra?ák, Tomá?. "Imidazolium Based Fluorous N-Heterocyclic Carbenes as Effective and Recyclable Organocatalysts for Redox Esterification". . p. 3591 - 3598. Retrieved 2020/06/17.