Benzenebutanoic acid, 2-fluoro-.alpha.,.gaMMa.-dioxo-, ethyl est

Base Information

• Chemical Name: Benzenebutanoic acid, 2-fluoro-.alpha.,.gaMMa.-dioxo-, ethyl est
• CAS No.: 741286-80-6
• Molecular Formula: C12H11FO4
• Molecular Weight: 238.215
• Hs Code.: 2918300090
• Mol file: 741286-80-6.mol

Synonyms:Ethyl 2-fluoro-a,g-dioxo-benzenebutanoate;BENZENEBUTANOIC ACID, 2-FLUORO-.ALPHA.,.GAMMA.-DIOXO-, ETHYL ESTER;4-(2-fluorophenyl)-2,4-dioxobutanoic acid ethyl ester;

Chemical Property of Benzenebutanoic acid, 2-fluoro-.alpha.,.gaMMa.-dioxo-, ethyl est

Chemical Property:

• Boiling Point: 350.0±22.0 °C(Predicted)
• PKA: 6.21±0.46(Predicted)
• PSA: 60.44000
• Density: 1.241±0.06 g/cm3(Predicted)
• LogP: 1.53070

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(2-fluorophenyl)-2,4-dioxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenebutanoic acid, 2-fluoro-.alpha.,.gaMMa.-dioxo-, ethyl est

There total 2 articles about Benzenebutanoic acid, 2-fluoro-.alpha.,.gaMMa.-dioxo-, ethyl est 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: 87.0%

2'-Fluoroacetophenone (445-27-2) + oxalic acid diethyl ester (95-92-1) → ethyl 4-(2-fluorophenyl)-2,4-dioxobutanoate (741286-80-6)

Guidance literature:

With ethanol; sodium; In N,N-dimethyl-formamide; at 0 - 45 ℃; for 1.75h;

Reference yield: 87.0%

→ ethyl 4-(2-fluorophenyl)-2,4-dioxobutanoate (741286-80-6)

Guidance literature:

Reference yield:

ethyl 4-(2-fluorophenyl)-2,4-dioxobutanoate (741286-80-6) → ethyl 5-(2-fluorophenyl)-1H-pyrazole-3-carboxylate (1326810-58-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h;

DOI:10.3390/molecules23082002

upstream raw materials:

2'-Fluoroacetophenone

oxalic acid diethyl ester

Downstream raw materials:

ethyl 5-(2-fluorophenyl)isooxazole-3-carboxylate

C₁₀H₈FNO₂

5-(2-fluorophenyl)isoxazole-3-carbaldehyde

2-amino-3-cyano-7-dimethylamino-4-(5-(2-fluorophenyl)-isoxazol-3-yl)-4H-chromene