Difluoroacetyl fluoride

Base Information

• Chemical Name: Difluoroacetyl fluoride
• CAS No.: 2925-22-6
• Molecular Formula: C2HF3O
• Molecular Weight: 98.0245
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID70381191
• Nikkaji Number: J982.530D
• Wikidata: Q82171864
• Mol file: 2925-22-6.mol

Synonyms:difluoroacetyl fluoride;2925-22-6;2,2-difluoroacetyl Fluoride;MFCD01861140;Difluoroacetylfluoride;difluoroacetic acid fluoride;2,2-difluoro-acetyl fluoride;DTXSID70381191;2,2-bis(fluoranyl)ethanoyl fluoride;AKOS006229419;FT-0634561;A819841

Chemical Property of Difluoroacetyl fluoride

Chemical Property:

• Boiling Point: °C
• PSA: 17.07000
• LogP: 0.74760
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 97.99794914
• Heavy Atom Count: 6
• Complexity: 59.8

Purity/Quality:

98%Min ^*data from raw suppliers

Difluoroacetyl fluoride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,T
• Hazard Codes: C,T
• Statements: 20-34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C(C(=O)F)(F)F

Technology Process of Difluoroacetyl fluoride

There total 21 articles about Difluoroacetyl 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: 99.0%

dichloroacethyl chloride (79-36-7) → 2,2-difluoroacetyl fluoride (2925-22-6)

Guidance literature:

With potassium fluoride; C₃₀H₂₂Cl₄CrN₄O₂; at 80 ℃; for 2h; Reagent/catalyst;

Reference yield: 90.0%

chloropentafluoroacetone (79-53-8) → Chlorodifluoromethane (75-45-6) + trifluoroacetyl fluoride (354-34-7) + 2,2-difluoroacetyl fluoride (2925-22-6) + C3HClF6O (152239-89-9)

Guidance literature:

With chlorine monofluoride; cesium fluoride; Further byproducts given; 1.) -140 degC to -75 degC over 6 h, 2.) -75 degC, 2 h;

DOI:10.1016/S0022-1139(00)80070-6

Reference yield: 90.0%

1,1,2,2-tetrafluoro-1-methoxyethane (425-88-7) → 2,2-difluoroacetyl fluoride (2925-22-6)

Guidance literature:

With alumina; hydrogen fluoride; at 220 - 230 ℃;

upstream raw materials:

difluoroacetyl chloride

2,2-difluoroacetic anhydride

difluoro-acetic acid ; mercury (II)-salt

Difluoroacetic acid

Downstream raw materials:

difluoroethanol

2,2-difluoroethyl 2,2-difluoroacetate

ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

(E/Z)-ethyl 2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoate

Refernces

• 1、 Fokin, A. V.,Studnev, Yu. N.,Rapkin, A. I.,Sultanbekov, D. A.,Potarina, T. M.. "REACTION OF 1,1,2-TRIFLUORO-2-CHLOROETHYLDIETHYLAMINE WITH FLUOROCARBOXYLIC ACIDS". . p. 372 - 375. Retrieved 1984.
• 2、 Tari, Isao,DesMarteau, Darryl D.. "Synthesis of Halogenated Esters of Fluorinated Carboxylic Acids by the Regio- and Stereospecific Addition of Acyl Hypochlorites to Olefins". . p. 1214 - 1217. Retrieved 1980.
• 3、 -. "Synthetic method of ethyl 4, 4-difluoro-3-oxo-2-piperidine-1-yl methylene butyrate". Paragraph 0025; 0029; 0035; 0040; 0043; 0048; 0051; 0056. . Retrieved 2021/01/30.
• 4、 -. "METHOD FOR THE PREPARATION OF 3-FLUOROALKYL-1-METHYLPYRAZOL-4-CARBOXYLIC ACID". Paragraph 0032. . Retrieved 2018/10/19.