Methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate

Base Information

• Chemical Name: Methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate
• CAS No.: 80171-31-9
• Molecular Formula: C₁₀H₈F₂O₃
• Molecular Weight: 214.169
• DSSTox Substance ID: DTXSID10511657
• Mol file: 80171-31-9.mol

Synonyms:80171-31-9;methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate;DTXSID10511657

Chemical Property of Methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 214.04415044
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(C(=O)C1=CC=C(C=C1)F)F

Technology Process of Methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate

There total 1 articles about Methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate 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:

methyl 4-fluorobenzoyl acetate (63131-29-3) → methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate (80171-31-9)

Guidance literature:

With Selectfluor; In acetonitrile; at 100 ℃; for 2h;

DOI:10.1055/s-0034-1378917

Reference yield: 85.0%

methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate (80171-31-9) + methylhydrazine (60-34-4) → 1-methyl-3-(4-fluorophenyl)-4-fluoro-5-oxypyrazole (80171-27-3)

Guidance literature:

In ethanol; for 3h; Heating;

DOI:10.1246/bcsj.54.3221

Reference yield: 84.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + methyl 2-fluoro-3-(4-fluorophenyl)-3-oxopropanoate (80171-31-9) → methyl Z-2-fluoro-3-(4-trifluoromethylphenyl)prop-2-enoate (126976-31-6)

Guidance literature:

With caesium carbonate; In acetonitrile; at 40 ℃; for 8h; stereoselective reaction;

DOI:10.1055/s-0034-1378917

upstream raw materials:

methyl 4-fluorobenzoyl acetate

Downstream raw materials:

1-methyl-3-(4-fluorophenyl)-4-fluoro-5-oxypyrazole

C₁₅H₁₄F₂O₄

methyl Z-2-fluoro-3-(4-trifluoromethylphenyl)prop-2-enoate