(4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER

Base Information

• Chemical Name: (4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER
• CAS No.: 26832-96-2
• Molecular Formula: C14H16 F N O4
• Molecular Weight: 281.284
• Hs Code.: 2922499990
• Mol file: 26832-96-2.mol

Synonyms:Malonicacid, [(p-fluoroanilino)methylene]-, diethyl ester (8CI); Propanedioic acid,[[(4-fluorophenyl)amino]methylene]-, diethyl ester (9CI);2-[(4-Fluorophenylamino)methylene]malonic acid diethyl ester

Chemical Property of (4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000136mmHg at 25°C
• Melting Point: 48-50 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.538
• Boiling Point: 333.5°C at 760 mmHg
• PKA: -0.70±0.70(Predicted)
• Flash Point: 155.5°C
• PSA: 64.63000
• Density: 1.228g/cm³
• LogP: 2.32070

Purity/Quality:

99%min ^*data from raw suppliers

Diethyl 2-((4-fluorophenylamino)methylene)malonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER

There total 4 articles about (4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER 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%

diethyl methoxymethylenemalonate (40131-09-7) + 4-fluoroaniline (371-40-4) → diethyl 2-(4-fluoroanilino)methylenemalonate (26832-96-2)

Guidance literature:

at 250 ℃; for 0.0333333h; microwave irradiation;

DOI:10.1135/cccc20060978

Reference yield: 95.0%

diethyl 2-ethoxymethylenemalonate (87-13-8) + 4-fluoroaniline (371-40-4) → diethyl 2-(4-fluoroanilino)methylenemalonate (26832-96-2)

Guidance literature:

at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c4ob02483d

Reference yield: 71.2%

→ diethyl 2-(4-fluoroanilino)methylenemalonate (26832-96-2)

Guidance literature:

In toluene; for 6h; Reflux;

upstream raw materials:

diethyl 2-ethoxymethylenemalonate

4-fluoroaniline

diethyl methoxymethylenemalonate

diethyl malonate

Downstream raw materials:

ethyl 6-fluoro-4-hydroxy-3-quinoline-carboxylate

ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 6-fluoro-1-(oxiran-2-ylmethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-[1-oxo-2-hydrazino-3-{p-toluenesulfon}]quinoline

Refernces

• 1、 Forezi, Luana da S.M.,Ribeiro, Mariana M.J.,Marttorelli, Andressa,Abrantes, Juliana L.,Rodrigues, Carlos R.,Castro, Helena Carla,Souza, Thiago Moreno L.,Boechat, Fernanda da C.S.,de Souza, Alessandra M.T.,de Souza, Maria Cecília B.V.. "Design, synthesis, in vitro and in silico studies of novel 4-oxoquinoline ribonucleoside derivatives as HIV-1 reverse transcriptase inhibitors". . . Retrieved 2020/04/02.
• 2、 -. "Compound with carbostyril and beta-lactam structure and synthesis method thereof". Paragraph 0020. . Retrieved 2016/11/02.