Phenyl propionate

Base Information

• Chemical Name: Phenyl propionate
• CAS No.: 637-27-4
• Molecular Formula: C9H10 O2
• Molecular Weight: 150.177
• Hs Code.: 2915509000
• European Community (EC) Number: 211-282-1
• NSC Number: 67977
• UNII: 53G5L84IRZ
• DSSTox Substance ID: DTXSID7060916
• Nikkaji Number: J45.694B
• Wikidata: Q63392752
• Mol file: 637-27-4.mol

Synonyms:Phenyl propionate;637-27-4;Propanoic acid, phenyl ester;Propionic Acid Phenyl Ester;PHENYL PROPANOATE;Propionic acid, phenyl ester;phenylpropionate;53G5L84IRZ;EINECS 211-282-1;NSC 67977;NSC-67977;132899-52-6;AI3-04253;Propanoic acid, phenyl ester, labeled with carbon-14 (9CI);phenol propionate;Propionic acid phenyl;Propanoic acid, phenylester;UNII-53G5L84IRZ;SCHEMBL45119;Phenyl propionate, AldrichCPR;3-HYDROXYHOMOPHTHALICACID;DTXSID7060916;AMY28442;NSC67977;MFCD00053765;STL268907;AKOS002710241;CS-0182542;P0509;C13913;Q63392752

Chemical Property of Phenyl propionate

Chemical Property:

• Vapor Pressure: 0.184mmHg at 25°C
• Melting Point: 20°C
• Refractive Index: 1.4960 to 1.4990
• Boiling Point: 211°C
• Flash Point: 85.2°C
• PSA: 26.30000
• Density: 1,05 g/cm3
• LogP: 2.00200
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

99.9% ^*data from raw suppliers

Phenyl Propionate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCC(=O)OC1=CC=CC=C1

Technology Process of Phenyl propionate

There total 27 articles about Phenyl propionate 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: 99.0%

propionic acid anhydride (123-62-6) + phenol (108-95-2,27073-41-2) → phenyl propionate (637-27-4,132899-52-6)

Guidance literature:

With erbium(III) chloride; at 50 ℃; for 0.5h;

DOI:10.1071/CH06346

Reference yield: 99.0%

carbon monoxide (201230-82-2) + ethyl iodide (75-03-6) + phenol (108-95-2,27073-41-2) → phenyl propionate (637-27-4,132899-52-6)

Guidance literature:

With rhodium(III) chloride; 1,3-bis-(diphenylphosphino)propane; sodium carbonate; sodium bromide; In 1,4-dioxane; at 120 ℃; for 24h; under 750.075 Torr; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acscatal.0c00933

Reference yield: 95.0%

ethene (74-85-1) + carbon monoxide (201230-82-2) + phenol (108-95-2,27073-41-2) → phenyl propionate (637-27-4,132899-52-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,2-dichloro-ethane; at 100 ℃; for 16h; Autoclave; Inert atmosphere;

DOI:10.1021/acs.orglett.1c04142

upstream raw materials:

propionyl chloride

phenol

propionic acid

Perbenzoic acid

Downstream raw materials:

styrene

prop-1-en-1-one

1-(2-Hydroxy-phenyl)-propan-1-on

4-hydroxypropiophenone

Refernces

• 1、 Kuai, Chang-Sheng,Wang, Le-Cheng,Wu, Xiao-Feng,Xu, Jian-Xing. "Palladium-Catalyzed Direct Dicarbonylation of Amines with Ethylene to Imides". supporting information. . Retrieved 2022/01/04.
• 2、 Kimura, Kento,Kurahashi, Takuya,Matsubara, Seijiro,Murano, Shunpei. "Catalytic Aerobic Oxidation of Alkenes with Ferric Boroperoxo Porphyrin Complex; Reduction of Oxygen by Iron Porphyrin". supporting information. p. 2493 - 2497. Retrieved 2021/12/29.