2-Fluoroethyl benzoate

Base Information

• Chemical Name: 2-Fluoroethyl benzoate
• CAS No.: 614-43-7
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• DSSTox Substance ID: DTXSID80210322
• Nikkaji Number: J42.707A
• Wikidata: Q83084992
• Mol file: 614-43-7.mol

Synonyms:2-Fluoroethyl benzoate;614-43-7;BENZOIC ACID, 2-FLUOROETHYL ESTER;BRN 2208569;Ethanol, 2-fluoro-, benzoate;4-09-00-00287 (Beilstein Handbook Reference);2-Fluoroethyl=benzoate;SCHEMBL10458171;DTXSID80210322;LS-37454;Ethanol, 2-fluoro-, benzoate (6CI,8CI,9CI)

Chemical Property of 2-Fluoroethyl benzoate

Chemical Property:

• Vapor Pressure: 0.0844mmHg at 25°C
• Boiling Point: 225.9°C at 760 mmHg
• Flash Point: 88°C
• PSA: 26.30000
• Density: 1.126g/cm³
• LogP: 1.81290
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98%min ^*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)OCCF

Technology Process of 2-Fluoroethyl benzoate

There total 9 articles about 2-Fluoroethyl 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: 96.0%

2-fluoroethanol (371-62-0) + benzoic acid (65-85-0,8013-63-6) → benzoyloxyethyl fluoride (614-43-7)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; at 70 ℃; for 40h;

DOI:10.3390/molecules24142608

Reference yield: 66.0%

C9H10O3 (94-33-7) → benzoyloxyethyl fluoride (614-43-7)

Guidance literature:

With 4 A molecular sieve; p-toluenesulfonyl fluoride; tetrabutyl ammonium fluoride; In tetrahydrofuran; for 17h; Heating;

DOI:10.1016/S0040-4039(00)98993-7

Reference yield: 60.0%

hexafluoropropene-diethylamine adduct (309-88-6) + C9H10O3 (94-33-7) → benzoyloxyethyl fluoride (614-43-7) + N,N-diethyl 2,3,3,3-tetrafluoropropionamide + benzoyloxyethyl 2,3,3,3-tetrafluoropropionate

Guidance literature:

In dichloromethane; for 3h; Ambient temperature;

DOI:10.1016/S0022-1139(00)82078-3

upstream raw materials:

2-chloroethyl benzoate

2-fluoroethanol

benzoyl chloride

benzoic acid