4-Fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

Base Information

• Chemical Name: 4-Fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
• CAS No.: 7345-49-5
• Molecular Formula: C6F8O4
• Molecular Weight: 288.051
• Hs Code.: 2932999099
• European Community (EC) Number: 230-864-6
• DSSTox Substance ID: DTXSID10884373
• Nikkaji Number: J212.343F
• Mol file: 7345-49-5.mol

Synonyms:7345-49-5;PERFLUORO[2,5-DIMETHYL-2-(FLUOROCARBONYL)-4-OXO-1,3-DIOXOLANE];4-Fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride;1,3-Dioxolane-2-carbonyl fluoride, 4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-;EINECS 230-864-6;2,4-Bis(trifluoromethyl)-4-fluoro-5-oxo-1,3-dioxolane-2-carbonyl fluoride;C6F8O4;SCHEMBL9594306;DTXSID10884373;C6-F8-O4;Perfluoro[2,5-dimethyl-2-fluorocarbonyl-4-oxo-1,3-dioxolane];MFCD07784273;AKOS025310233;BS-24468;perfluoro-4-oxo-2,5-dimethyl-2-fluorocarbonyl-1,3-dioxolane;4-Fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid fluoride

Chemical Property of 4-Fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

Chemical Property:

• PSA: 52.60000
• LogP: 1.54260
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 1
• Exact Mass: 287.96688377
• Heavy Atom Count: 18
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

Perfluoro[2,5-dimethyl-2-(fluorocarbonyl)-4-oxo-1,3-dioxolane] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1(=O)C(OC(O1)(C(=O)F)C(F)(F)F)(C(F)(F)F)F

Technology Process of 4-Fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

There total 4 articles about 4-Fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride 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: 86.0%

Hexafluoropropene oxide (428-59-1,25038-02-2) → 4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (7345-49-5)

Guidance literature:

With 4-methoxy-benzaldehyde; at 85 - 140 ℃; for 19h; under 1500.15 - 5250.53 Torr; Temperature; Reagent/catalyst; Pressure; Autoclave; Large scale;

Reference yield: 84.0%

α-(fluorosulfato)pentafluoroacetone (51689-98-6) → 4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (7345-49-5)

Guidance literature:

With cesium fluoride; In diethylene glycol dimethyl ether; at -35 - 20 ℃; for 3.5h;

DOI:10.1007/s11172-009-0174-4

Reference yield:

Hexafluoropropene oxide (428-59-1,25038-02-2) + α-(fluorosulfato)pentafluoroacetone (51689-98-6) → 2-(2-fluorosulfonyloxyhexafluoropropoxy)tetrafluoropropionyl fluoride (1235137-84-4) + perfluoro-2-oxo-3,6-dimethyl-1,4-dioxane (7309-84-4) + 4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (7345-49-5)

Guidance literature:

α-(fluorosulfato)pentafluoroacetone; With potassium hydrogenfluoride; In nitrobenzene; at 45 - 60 ℃; under 100 Torr;

With cesium fluoride; In diethylene glycol dimethyl ether; Tetraethylene glycol dimethyl ether; at -32 - -30 ℃; for 0.5h;

Hexafluoropropene oxide; In diethylene glycol dimethyl ether; Tetraethylene glycol dimethyl ether; at -32 - -30 ℃; for 2.5h;

DOI:10.1007/s11172-009-0174-4

upstream raw materials:

Hexafluoropropene oxide

perfluoro-4-oxo-2,5-dimethyl-2-(2'-oxa-3'-fluorocarbonylbutyl)-1,3-dioxolane

α-(fluorosulfato)pentafluoroacetone

Downstream raw materials:

perfluoro(2-propoxypropionyl) fluoride

perfluoro-2-oxo-3,6-dimethyl-1,4-dioxane

perfluoro-4-oxo-2,5-dimethyl-2-(2'-oxa-3'-fluorocarbonylbutyl)-1,3-dioxolane

2-(difluoromethylene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane

Refernces

• 1、 -. "Hexafluoropropylene oxide is added to the aldehyde, and method for producing an α [...] acid (by machine translation)". Paragraph 0027-0050; 0052. . Retrieved 2020/04/09.
• 2、 Sterlin,Avetisyan. "Reaction of fluorosulfonyloxypentafluoroacetone in the presence of alkali metal fluorides". experimental part. p. 1318 - 1320. Retrieved 2010/10/04.