4-Fluorophenyl benzoate

Base Information

• Chemical Name: 4-Fluorophenyl benzoate
• CAS No.: 2714-93-4
• Molecular Formula: C13H9 F O2
• Molecular Weight: 216.212
• NSC Number: 131005
• DSSTox Substance ID: DTXSID00299477
• Nikkaji Number: J1.281.187J
• Wikidata: Q82041910
• Mol file: 2714-93-4.mol

Synonyms:4-fluorophenyl benzoate;2714-93-4;Phenol, 4-fluoro-,1-benzoate;NSC131005;SCHEMBL2464842;DTXSID00299477;MFCD00623661;AKOS000673115;NSC-131005

Chemical Property of 4-Fluorophenyl benzoate

Chemical Property:

• Vapor Pressure: 0.000524mmHg at 25°C
• Boiling Point: 312.6°Cat760mmHg
• Flash Point: 138.2°C
• Density: 1.221g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.05865769
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluorophenyl benzoate

There total 28 articles about 4-Fluorophenyl benzoate 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: 97.0%

4-Fluorophenol (371-41-5) + benzoyl chloride (98-88-4) → 4-fluorophenyl benzoate (2714-93-4)

Guidance literature:

With triethylamine; In dichloromethane; for 1h;

DOI:10.1002/chem.201001056

Reference yield: 94.0%

4-Fluorophenol (371-41-5) + iodobenzene (591-50-4) + carbon monoxide (201230-82-2) → 4-fluorophenyl benzoate (2714-93-4)

Guidance literature:

With dicarbonyl(acetylacotonato)rhodium(I); triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 120 ℃; for 48h; Inert atmosphere; Autoclave; Schlenk technique;

DOI:10.1016/j.mcat.2018.07.021

Reference yield: 93.0%

4-Fluorophenol (371-41-5) + benzyl alcohol (100-51-6,185532-71-2) → 4-fluorophenyl benzoate (2714-93-4)

Guidance literature:

With oxygen; palladium diacetate; sodium carbonate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In 5,5-dimethyl-1,3-cyclohexadiene; at 130 ℃; for 36h;

DOI:10.1016/j.tet.2011.06.060

upstream raw materials:

para-difluorobenzene

dibenzoyl peroxide

4-fluorobenzophenone

4-Fluorophenol

Downstream raw materials:

4-Fluorophenol

benzoic acid

sodium benzoate

sodium 4-fluorophenoxide

Refernces

• 1、 Zheng, Lei,Sun, Chen,Xu, Wenhao,Dushkin, Alexandr V.,Polyakov, Nikolay,Su, Weike,Yu, Jingbo. "Mechanically induced solvent-free esterification method at room temperature". . p. 5080 - 5085. Retrieved 2021/02/05.
• 2、 Tukacs, József M.,Marton, Bálint,Albert, Eszter,Tóth, Imre,Mika, László T.. "Palladium-catalyzed aryloxy- and alkoxycarbonylation of aromatic iodides in γ-valerolactone as bio-based solvent". . . Retrieved 2020/08/11.