Methyl difluoroacetate

Base Information

• Chemical Name: Methyl difluoroacetate
• CAS No.: 433-53-4
• Molecular Formula: C3H4F2O2
• Molecular Weight: 110.06
• Hs Code.: 29159000
• European Community (EC) Number: 207-089-7
• UNII: 6U74LQW4K6
• DSSTox Substance ID: DTXSID10195815
• Nikkaji Number: J146.984C
• Wikidata: Q66084482
• Mol file: 433-53-4.mol

Synonyms:Methyl difluoroacetate;433-53-4;methyl 2,2-difluoroacetate;methyl2,2-difluoroacetate;Acetic acid, difluoro-, methyl ester;6U74LQW4K6;C3H4F2O2;EINECS 207-089-7;Methyldifluoroacetate,99%;methyldifluoroacetate;Methyl difluoroacetate #;UNII-6U74LQW4K6;Methyl difluoroacetate, 96%;SCHEMBL237982;AMY3631;DTXSID10195815;C3-H4-F2-O2;MFCD00039276;STK349604;AKOS000309883;CS-0204334;FT-0624919;M2021;D91567;A905311;J-522653

Chemical Property of Methyl difluoroacetate

Chemical Property:

• Vapor Pressure: 2220mmHg at 25°C
• Refractive Index: n20/D 1.334(lit.)
• Boiling Point: 45.022 °C at 760 mmHg
• Flash Point: -16.854 °C
• PSA: 26.30000
• Density: 1.186 g/cm³
• LogP: 0.42450
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 110.01793569
• Heavy Atom Count: 7
• Complexity: 71.3

Purity/Quality:

98% ^*data from raw suppliers

Methyl Difluoroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, F
• Hazard Codes: Xn,F
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-23-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C(F)F
• Uses: A methyl difluoroacetate (MFA)-based LiPF6 solution was applied as an electrolyte to improve the thermal stability of Li-ion batteries. Methyl difluoroacetate is used in the inhibition of corrosion of aluminum cathode current collector for lithium ion cells.

Technology Process of Methyl difluoroacetate

There total 16 articles about Methyl difluoroacetate 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: 94.5%

1,1,2,2-tetrafluoro-1-methoxyethane (425-88-7) → difluoroacetic acid methyl ester (433-53-4)

Guidance literature:

With water; fluorinated γ-alumina; at 180 ℃; for 0.02h; Product distribution / selectivity; Inert atmosphere; Gas phase;

Reference yield: 69.0%

methanol (67-56-1) + 2,2-difluoroacetyl fluoride (2925-22-6) → difluoroacetic acid methyl ester (433-53-4)

Guidance literature:

With sodium carbonate; at 5 - 15 ℃; for 3h; Inert atmosphere;

Reference yield: 26.8%

metyhyl chlorodifluoroacetate (1514-87-0) → Difluoroacetic acid (381-73-7) + difluoroacetic acid methyl ester (433-53-4) + 2-chloro-2,2-difluoroacetic acid (76-04-0)

Guidance literature:

With methanol; zinc; at 50 ℃; for 1 - 4h; Product distribution / selectivity; Heating / reflux;

upstream raw materials:

dichloroacetic acid methyl ester

Methyl formate

bromodifluoroacetyl chloride

Monomethylester d. Perfluormalonat

Downstream raw materials:

Difluoroacetic acid

4,4-difluoro-1-phenyl-1,3-butanedione

1,1-difluoro-1-phenyl-1,3-butanedione

ethyl 4,4-difluoro-3-oxobutyrate

Refernces

• 1、 -. "METHOD FOR PRODUCING FLUORINE-CONTAINING CARBOXYLIC ACID ESTER". Page/Page column 6-7. . Retrieved 2010/04/24.
• 2、 Kitagawa, Osamu,Taguchi, Takeo,Kobayashi, Yoshiro. "(METHYL DIFLUOROACETATE)COPPER REAGENT. REMARKABLE SOLVENT EFFECT ON THE 19F-NMR SPECTRUM, STABILITY AND REACTIVITY". . p. 389 - 392. Retrieved 2007/10/02.