4-Fluorophenyl propionate

Base Information

• Chemical Name: 4-Fluorophenyl propionate
• CAS No.: 457-75-0
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• DSSTox Substance ID: DTXSID501305004
• Nikkaji Number: J3.563.586F
• Mol file: 457-75-0.mol

Synonyms:4-fluorophenyl propionate;4-fluorophenyl propanoate;phenol, 4-fluoro-, propanoate;SCHEMBL5642116;DTXSID501305004;Phenol, 4-fluoro-, 1-propanoate;AKOS003055986;Propionic acid (4-fluorophenyl) ester;457-75-0;J3.563.586F

Chemical Property of 4-Fluorophenyl propionate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)OC1=CC=C(C=C1)F

Technology Process of 4-Fluorophenyl propionate

There total 4 articles about 4-Fluorophenyl 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: 67.0%

4-Fluorophenol (371-41-5) + propionyl chloride (79-03-8) → 4-fluorophenyl propionate (457-75-0)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃; for 16h;

Reference yield: 57.0%

sodium proprionate (137-40-6) + potassim 4-fluorophenyltrifluoroborate → 4-fluorophenyl propionate (457-75-0)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); In acetonitrile; at 25 ℃; for 16h; Sealed tube;

DOI:10.1055/s-0035-1562529

Reference yield:

4-Fluorophenol (371-41-5) + propionic acid anhydride (123-62-6) → 4-fluorophenyl propionate (457-75-0)

Guidance literature:

With pyridine;

upstream raw materials:

4-Fluorophenol

propionic acid anhydride

sodium proprionate

propionyl chloride

Downstream raw materials:

1-(5-fluoro-2-hydroxyphenyl)propan-1-one

Refernces

• 1、 Schimler, Sydonie D.,Sanford, Melanie S.. "Copper-Mediated Functionalization of Aryl Trifluoroborates". supporting information. p. 2279 - 2284. Retrieved 2016/10/06.
• 2、 O'Connor, Charmian J.,Mitha, Amin S. H.. "Studies in Bile Salt Solutions. XIV. Electronic, Charge and Steric Substrate-Effects on the Esterase Activity of Bile-Salt-Stimulated Human Milk Lipase. Hydrolysis of 4-Substituted Phenyl Propionates". . p. 259 - 269. Retrieved 2007/10/02.