Ethyl 2-fluorobenzoate

Base Information

• Chemical Name: Ethyl 2-fluorobenzoate
• CAS No.: 443-26-5
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• Hs Code.: 29163990
• European Community (EC) Number: 207-134-0
• NSC Number: 67340
• DSSTox Substance ID: DTXSID6059996
• Nikkaji Number: J196.128D
• Wikidata: Q72474876
• Mol file: 443-26-5.mol

Synonyms:Ethyl 2-fluorobenzoate;443-26-5;Ethyl o-fluorobenzoate;2-Fluorobenzoic Acid Ethyl Ester;Benzoic acid, 2-fluoro-, ethyl ester;ethyl2-fluorobenzoate;Benzoic acid, o-fluoro-, ethyl ester;EINECS 207-134-0;MFCD00039214;NSC 67340;AI3-11087;ethyl 2-fluoro-benzoate;fluoro-benzoic acid ethyl ester;SCHEMBL2325118;DTXSID6059996;RUWPGPOBTHOLHF-UHFFFAOYSA-;2-fluoro-benzoic acid ethyl ester;2-Fluorobenzoic acid, ethyl ester;Ethyl 2-fluorobenzoate, AldrichCPR;NSC67340;AC7853;NSC-67340;AKOS008948024;CS-W022661;PS-8727;SY003267;AM20050273;F0395;FT-0612412;W-106202

Chemical Property of Ethyl 2-fluorobenzoate

Chemical Property:

• Appearance/Colour: colorless transparent liquid
• Vapor Pressure: 0.0237mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 220.2 °C at 760 mmHg
• Flash Point: 84.7 °C
• PSA: 26.30000
• Density: 1.136 g/cm³
• LogP: 2.00240
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 2-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1F

Technology Process of Ethyl 2-fluorobenzoate

There total 17 articles about Ethyl 2-fluorobenzoate 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%

ethanol (64-17-5) + 2-Fluorobenzaldehyde (446-52-6) → 2-fluoro-benzoic acid ethyl ester (443-26-5)

Guidance literature:

With 1-(4-bromophenyl)-3-(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl-1H-imidazol-3-ium iodide; caesium carbonate; In toluene; at 60 ℃; for 3h;

Reference yield: 91.0%

ethanol (64-17-5) + 2-Fluorobenzoyl chloride (393-52-2) → 2-fluoro-benzoic acid ethyl ester (443-26-5)

Guidance literature:

Heating;

DOI:10.1016/S0040-4020(97)00448-1

Reference yield: 89.0%

ethanol (64-17-5) + o-fluoro-benzoic acid (445-29-4) → 2-fluoro-benzoic acid ethyl ester (443-26-5)

Guidance literature:

With sulfuric acid; at 100 ℃; for 12h; Sealed tube;

DOI:10.1021/jacs.7b04490

upstream raw materials:

ethanol

2-Fluorobenzoyl chloride

carbon dioxide

1-Fluoro-2-iodobenzene

Downstream raw materials:

ethyl 2-piperidinobenzoate

3-(2-chloro-phenyl)-6-fluoro-2-[2-(2-fluoro-phenyl)-2-hydroxy-vinyl]-3H-quinazolin-4-one

2-fluoro-N-phenylbenzamide

2-(2'-fluorophenyl)propan-2-ol

Refernces

• 1、 -. "Pleuromutilin derivative with 1, 3, 4-oxadiazole side chain and preparation and application thereof". Paragraph 0055-0056; 0070; 0090; 0092; 0095; 0103. . Retrieved 2021/07/24.
• 2、 Vanjare, Balasaheb D.,Mahajan, Prasad G.,Dige, Nilam C.,Raza, Hussain,Hassan, Mubashir,Han, Yohan,Kim, Song Ja,Seo, Sung-Yum,Lee, Ki Hwan. "Novel 1,2,4-triazole analogues as mushroom tyrosinase inhibitors: synthesis, kinetic mechanism, cytotoxicity and computational studies". . p. 2089 - 2106. Retrieved 2020/05/18.