Diethyl (2,4,6-trifluorophenyl)malonate

Base Information

• Chemical Name: Diethyl (2,4,6-trifluorophenyl)malonate
• CAS No.: 262609-07-4
• Molecular Formula: C13H13F3O4
• Molecular Weight: 290.239
• Hs Code.: 2917198090
• European Community (EC) Number: 607-899-4
• DSSTox Substance ID: DTXSID40382195
• Wikidata: Q72462259
• Mol file: 262609-07-4.mol

Synonyms:262609-07-4;Diethyl (2,4,6-trifluorophenyl)malonate;Diethyl 2-(2,4,6-trifluorophenyl)malonate;Diethyl 2-(2,4,6-trifluorophenyl)propanedioate;Diethyl 2,4,6-trifluorophenyl malonate;MFCD04039210;1,3-diethyl 2-(2,4,6-trifluorophenyl)propanedioate;SCHEMBL1477896;2-(2,4,6-Trifluoro-phenyl)-malonic acid diethyl ester;DTXSID40382195;VCCISIBKCNTCLR-UHFFFAOYSA-N;Diethyl 2,4,6Trifluorophenylmalonate;Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester;AKOS005254604;Diethyl 2,4,6-trifluorophenylmalonate;diethyl (2,4,6-trifluorophenyl)-malonate;Diethyl (2,4,6-trifluoro-phenyl)-malonate;CS-0151886;FT-0649628;Diethyl (2,4,6-trifluorophenyl)propanedioate;D94632;A818348;2-(2,4,6-triflorophenyl)malonic acid diethyl ester;2-(2,4,6-trifluorophenyl)-malonic acid diethyl ester;diethyl 2-[2,4,6-tris(fluoranyl)phenyl]propanedioate;2-(2,4,6-trifluorophenyl)propanedioic acid diethyl ester;262209-07-4

Chemical Property of Diethyl (2,4,6-trifluorophenyl)malonate

Chemical Property:

• Vapor Pressure: 0.00311mmHg at 25°C
• Melting Point: 46-49℃
• Refractive Index: 1.467
• Boiling Point: 283.7 °C at 760 mmHg
• Flash Point: 121.5 °C
• Density: 1.289 g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 290.07659338
• Heavy Atom Count: 20
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

Diethyl 2,4,6-trifluorophenyl malonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=C(C=C(C=C1F)F)F)C(=O)OCC

Technology Process of Diethyl (2,4,6-trifluorophenyl)malonate

There total 5 articles about Diethyl (2,4,6-trifluorophenyl)malonate 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: 99.2%

diethyl 2-chloro-2-(2',4',6'-trifluorophenyl)malonate (918418-36-7) → diethyl (2,4,6-trifluoro-phenyl)-malonate (262609-07-4)

Guidance literature:

With hydrogen; triethylamine; nickel; In tetrahydrofuran; at 24 ℃; for 2.25h;

Reference yield: 81.0%

2,4,6-trifluorobromobenzene (2367-76-2) + diethyl malonate (105-53-3) → diethyl (2,4,6-trifluoro-phenyl)-malonate (262609-07-4)

Guidance literature:

diethyl malonate; With sodium methylate; at 20 - 60 ℃; Industry scale;

2,4,6-trifluorobromobenzene; copper(I) bromide; In ethanol; at 75 - 100 ℃; for 12.3333h; under 760.051 Torr; Product distribution / selectivity; Industry scale;

Reference yield: 73.0%

3,3-dichloro-2-(2,4,6-trifluoro-phenyl)-acrylicacidethylester (918419-00-8) + sodium ethanolate (141-52-6) + acetic acid (64-19-7,77671-22-8) → diethyl (2,4,6-trifluoro-phenyl)-malonate (262609-07-4)

Guidance literature:

3,3-dichloro-2-(2,4,6-trifluoro-phenyl)-acrylicacidethylester; sodium ethanolate; In ethanol; at 0 ℃; for 1.66667h;

acetic acid; In ethanol; water; at 10 ℃; for 2h;

upstream raw materials:

2,4,6-trifluorobromobenzene

diethyl malonate

1,4-dioxane

3,3-dichloro-2-(2,4,6-trifluoro-phenyl)-acrylicacidethylester

Downstream raw materials:

Ethyl 3,3-Diethoxy-2-(2',4',6'-Trifluorophenyl)Acrylate

2,4,6-trifluorophenylacetic acid

C₁₇H₁₂F₃NO₄

(S)-6-chloro-5-(4-(3-(dimethylamino)propoxy)-2,6-difluorophenyl)-2-(pyrazin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

Refernces

• 1、 Lamberth, Clemens,Godineau, Edouard,Smejkal, Tomas,Trah, Stephan. "A new Knoevenagel-type synthesis of fully substituted γ- hydroxybutenolides". scheme or table. p. 4117 - 4120. Retrieved 2012/08/29.
• 2、 -. "Method For Production of Substituted Phenylmalonate Esters, Intermediate Compounds and The Use Thereof for production of 5, 7-dihydroxy-6-(2,4,5-trifluorophenyl)-(1,2,4)triazolo(1,5-A)pyrimidines". Page/Page column 3. . Retrieved 2009/05/28.