Methyl 2,2,3-trifluoro-3-oxopropanoate

Base Information

• Chemical Name: Methyl 2,2,3-trifluoro-3-oxopropanoate
• CAS No.: 69116-71-8
• Molecular Formula: C₄H₃F₃O₃
• Molecular Weight: 156.061
• DSSTox Substance ID: DTXSID8052437
• Nikkaji Number: J195.955G
• Mol file: 69116-71-8.mol

Synonyms:2,2,3-trifluoro-3-oxopropanoic acid methy ester;methyl 2,2-difluromalonyl fluoride

Chemical Property of Methyl 2,2,3-trifluoro-3-oxopropanoate

Chemical Property:

• Vapor Pressure: 14.2mmHg at 25°C
• Boiling Point: 122°C at 760 mmHg
• Flash Point: 27.8°C
• PSA: 43.37000
• Density: 1.398g/cm³
• LogP: 0.29080
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 156.00342844
• Heavy Atom Count: 10
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Methyl fluoroformyl-2,2-difluoroacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2,2,3-trifluoro-3-oxopropanoate

There total 3 articles about Methyl 2,2,3-trifluoro-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: 91.0%

Methyl pentafluoro-3,4-epoxybutanate (268226-88-6) → Methyl fluoroformyldifluoroacetate (69116-71-8)

Guidance literature:

at 210 - 230 ℃; for 8h;

Reference yield:

methyl 3-methoxy-2,2,3,3-tetrafluoropropionate (755-73-7) → Methyl fluoroformyldifluoroacetate (69116-71-8)

Guidance literature:

With SbCl₅; In Methyl fluoride;

Reference yield:

→ Methyl fluoroformyldifluoroacetate (69116-71-8)

Guidance literature:

CH3O-CF2-CF2-COOCH3, SO3;

upstream raw materials:

Methyl pentafluoro-3,4-epoxybutanate

methyl 3-methoxy-2,2,3,3-tetrafluoropropionate

Downstream raw materials:

dimethyl 2,2-difluoro-malonate

Refernces

• 1、 -. "Process for the preparation of perfluorinated carboxylic acid fluorides". . . Retrieved 2008/06/13.
• 2、 -. "Alkyl perfluoro-ω-fluoroformyl esters and monomers therefrom". . . Retrieved 2008/06/13.