Bis(4-fluorophenyl) propanedioate

Base Information

• Chemical Name: Bis(4-fluorophenyl) propanedioate
• CAS No.: 1810-25-9
• Molecular Formula: C15H10F2O4
• Molecular Weight: 292.239
• DSSTox Substance ID: DTXSID00570773
• Nikkaji Number: J712.133D
• Wikidata: Q82458320
• Mol file: 1810-25-9.mol

Synonyms:Bis(4-fluorophenyl) propanedioate;1810-25-9;SCHEMBL15763920;DTXSID00570773

Chemical Property of Bis(4-fluorophenyl) propanedioate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 292.05471512
• Heavy Atom Count: 21
• Complexity: 325

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(=O)CC(=O)OC2=CC=C(C=C2)F)F

Technology Process of Bis(4-fluorophenyl) propanedioate

There total 1 articles about Bis(4-fluorophenyl) propanedioate 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: 90.0%

4-Fluorophenol (371-41-5) + malonic acid (141-82-2) → bis(4-fluorophenyl) malonate (1810-25-9)

Guidance literature:

With trichlorophosphate; 1.) 110 deg C, 1 h, 120 deg C, 1 h;

DOI:10.1016/0040-4039(96)00101-3

Reference yield: 90.0%

2,4,6-trinitrochlorobenzene (88-88-0) + bis(4-fluorophenyl) malonate (1810-25-9) → bis(4-fluorophenyl) 2,4,6-trinitrophenylmalonate (1383482-13-0)

Guidance literature:

bis(4-fluorophenyl) malonate; With sodium hydride; In tetrahydrofuran; for 0.166667h; Inert atmosphere;

2,4,6-trinitrochlorobenzene; In tetrahydrofuran; for 24h; Inert atmosphere;

DOI:10.1007/s11172-011-0249-x

Reference yield:

bis(4-fluorophenyl) malonate (1810-25-9) + 1-(p-methoxybenzoyl)-3,4-didehydro-2-methoxypiperidine → di-p-fluorophenyl [1-(p-methoxybenzoyl)-3,4-didehydro-2-piperidyl]malonate + CH3OC6H4C(O)C5H7NCH(CO2C6H4F)2

Guidance literature:

copper(II) bis(trifluoromethanesulfonate); (S,S)-2,2'-isopropylidenebis(4-phenyl-2-oxazoline); In tetrahydrofuran; at 20 ℃; for 12h; Title compound not separated from byproducts.;

DOI:10.1016/j.jorganchem.2006.04.039

upstream raw materials:

4-Fluorophenol

malonic acid

Downstream raw materials:

6-fluoro-4-hydroxycoumarin

bis(4-fluorophenyl) 2,4,6-trinitrophenylmalonate