Ethyl 2-(2-fluorophenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(2-fluorophenyl)acetate
• CAS No.: 584-74-7
• Molecular Formula: C10H11FO2
• Molecular Weight: 182.195
• Hs Code.: 2916399090
• European Community (EC) Number: 639-307-5
• DSSTox Substance ID: DTXSID30428834
• Nikkaji Number: J1.531.139H
• Wikidata: Q82241666
• Mol file: 584-74-7.mol

Synonyms:ethyl 2-(2-fluorophenyl)acetate;584-74-7;Ethyl 2-fluorophenylacetate;Ethyl-2-fluorophenylacetate;Ethyl (2-fluorophenyl)acetate;Benzeneacetic acid, 2-fluoro-, ethyl ester;2-Fluorophenylacetic acid ethyl ester;Ethyl2-fluorophenylacetate;SCHEMBL513027;DTXSID30428834;OFWMNCYZASDVSS-UHFFFAOYSA-N;AMY28496;AB7208;MFCD04039343;AKOS008947958;PS-8526;CS-0100656;EN300-130232;A869441;Z53836539

Chemical Property of Ethyl 2-(2-fluorophenyl)acetate

Chemical Property:

• Vapor Pressure: 0.0819mmHg at 25°C
• Refractive Index: 1.4810
• Boiling Point: 226.4 °C at 760 mmHg
• Flash Point: 88.3 °C
• PSA: 26.30000
• Density: 1.118 g/cm³
• LogP: 1.93130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.07430775
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-(2-Fluorophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=CC=C1F

Technology Process of Ethyl 2-(2-fluorophenyl)acetate

There total 8 articles about Ethyl 2-(2-fluorophenyl)acetate 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-fluorophenyl)acetic acid (451-82-1) → o-fluorophenylacetic acid ethyl ester (584-74-7)

Guidance literature:

With toluene-4-sulfonic acid; for 2h; Reflux;

DOI:10.1002/anie.201812925

Reference yield: 31.0%

o-fluorophenylboronic acid (1993-03-9) + ethyl bromoacetate (105-36-2) → o-fluorophenylacetic acid ethyl ester (584-74-7)

Guidance literature:

With tri-1-napthylphosphine; potassium carbonate; palladium diacetate; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1039/b100834j

Reference yield:

ethyl p-methylcinnamate (20511-20-0) + 2-(2-fluorophenyl)acetamide (326-63-6) → 4-methyl-cinnamic acid amide (18254-00-7) + o-fluorophenylacetic acid ethyl ester (584-74-7) + 3-(2-Fluoro-phenyl)-4-p-tolyl-piperidine-2,6-dione (77418-84-9)

Guidance literature:

With sodium; In benzene; for 24h; Heating;

upstream raw materials:

ethanol

(2-fluorophenyl)acetic acid

ethyl 3-phenyl-2-propenoate

2-(2-fluorophenyl)acetamide

Downstream raw materials:

(2-fluoro-phenyl)-acetic acid-(2-hydroxy-ethylamide)

1-cyclopropyl-2-(2-fluorophenyl)ethanone

Refernces

• 1、 Boddy, Alexander J.,Affron, Dominic P.,Cordier, Christopher J.,Rivers, Emma L.,Spivey, Alan C.,Bull, James A.. "Rapid Assembly of Saturated Nitrogen Heterocycles in One-Pot: Diazo-Heterocycle “Stitching” by N–H Insertion and Cyclization". supporting information. p. 1458 - 1462. Retrieved 2019/01/04.
• 2、 -. "1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS". Page/Page column 163; 165. . Retrieved 2009/10/30.