Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate
• CAS No.: 24106-86-3
• Molecular Formula: C13H15FO3
• Molecular Weight: 238.25
• Hs Code.: 2918300090
• European Community (EC) Number: 671-392-4
• DSSTox Substance ID: DTXSID50374566
• Nikkaji Number: J76.353E
• Mol file: 24106-86-3.mol

Synonyms:24106-86-3;Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate;2-(2-Fluorobenzyl)acetoacetic acid ethyl ester;ethyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate;Ethyl 2-(2-fluorobenzyl)acetoacetate;2-(2-Fluorobenzyl)-acetoacetic acid ethyl ester;cicrotoicacid;SCHEMBL6587934;DTXSID50374566;FYIXPASNYHVDHS-UHFFFAOYSA-N;MFCD03093821;Ethyl alpha-(o-fluorobenzyl)acetoacetate;Ethyl2-(2-fluorobenzyl)-3-oxobutanoate;BS-49413;CS-0197072;FT-0638394;E78314;A817100

Chemical Property of Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 0.00063mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 309.7 °C at 760 mmHg
• Flash Point: 136.6 °C
• PSA: 43.37000
• Density: 1.134 g/cm³
• LogP: 2.13650
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 238.10052250
• Heavy Atom Count: 17
• Complexity: 278

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Fluorobenzyl)-acetoaceticacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate

There total 2 articles about Ethyl 2-(2-fluorobenzyl)-3-oxobutanoate 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:

o-fluorobenzyl bromide (446-48-0) + ethyl acetoacetate (141-97-9) → ethyl 2-acetyl-3-(2-fluorophenyl)propionate (24106-86-3)

Guidance literature:

ethyl acetoacetate; With sodium ethanolate; In ethanol; at 20 ℃; for 0.166667h;

o-fluorobenzyl bromide; In ethanol; for 15h; Reflux;

DOI:10.1016/j.bmc.2008.09.032

Reference yield:

→ ethyl 2-acetyl-3-(2-fluorophenyl)propionate (24106-86-3)

Guidance literature:

o-Fluorobenzylchlorid, Aethylacetoacetat;

Reference yield:

ethyl 2-acetyl-3-(2-fluorophenyl)propionate (24106-86-3) + 3.5-dimethoxyaniline (10272-07-8) → 5,7-Dimethoxy-3-(2-fluorobenzyl)-4-methyl-2(1H)-quinolinone (219552-45-1)

Guidance literature:

With methanesulfonic acid; In 5,5-dimethyl-1,3-cyclohexadiene; water;

upstream raw materials:

o-fluorobenzyl bromide

ethyl acetoacetate

Downstream raw materials:

5,7-Dimethoxy-3-(2-fluorobenzyl)-4-methyl-2(1H)-quinolinone

C₁₇H₁₈FN₃O₄S

Refernces

• 1、 -. "Indoloquinolines, intermediates and processes". . . Retrieved 2008/06/13.