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HomeProduct name listEthyl bromodifluoroacetate

Ethyl bromodifluoroacetate

  • CAS NO.:667-27-6
  • Empirical Formula: C4H5BrF2O2
  • Molecular Weight: 202.98
  • MDL number: MFCD00042069
  • EINECS: 211-567-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-29 18:21:28
Ethyl bromodifluoroacetate Structural

What is Ethyl bromodifluoroacetate?

Description

Ethyl bromodifluoroacetate, a clear to yellow liquid, is an ester of bromodifluoroacetic acid and ethyl alcohol. It is an ester that can be used to introduce the CF2 group when synthesizing chemical compounds. Ethyl bromdifluoroacetate is considered to be a good compound in the generation of compounds and for testing with other organic compounds like lactones, imines, and other amino acids.

Chemical properties

clear colorless to slightly yellow liquid

The Uses of Ethyl bromodifluoroacetate

Ethyl bromodifluoroacetate is usually used in the preparation of substituted ethyl 2′-pyridyldifluoroacetates,4-alkoxymethyl- and 4-aryloxymethyl-3,3-difluoropiperidines,α,α-difluoro-β-lactams,mono- and difluoromethylated phenanthridine derivatives.

The Uses of Ethyl bromodifluoroacetate

Efficient difluoroalkylation of aryl boronic acids via palladium catalysis. Novel, moisture-stable bromodifluoromethylated phosphonate, ester, and amide. Efficient coupling with aryl boronic acids via Pd catalysis. A Cu-catalyzed regioselective bromodifluoroacetylation of alkenes, using ethyl bromodifluoroacetate (BrCF2CO2Et) as a difluoroacetylating reagent.

The Uses of Ethyl bromodifluoroacetate

Ethyl bromodifluoroacetate, is used for the treatment of the Reformat sky reagent with aldehydes and ketones affords 2,2-difluoro-3-hydroxy esters. It is also used in the analysis of reagent purity through IR, NMR.

Preparation

Difluorobromoacetonitrile is taken as a raw material, and prepared through a one-pot method and subjected to alcoholysis and esterification in ethanol aqueous solution to obtain ethyl bromodifluoroacetate.Reaction equation is:
BrF2CCN→BrF2CCOOH→BrF2CCOOC2H5

Properties of Ethyl bromodifluoroacetate

Boiling point: 112 °C/700 mmHg (lit.)
Density  1.583 g/mL at 25 °C (lit.)
refractive index  n20/D 1.387(lit.)
Flash point: 70 °F
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  Soluble in most organic solvents.
form  Liquid
color  Clear colorless to slightly yellow
Specific Gravity 1.583
BRN  1906095
InChI InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
CAS DataBase Reference 667-27-6(CAS DataBase Reference)
NIST Chemistry Reference Ethyl bromodifluoroacetate(667-27-6)

Safety information for Ethyl bromodifluoroacetate

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H225:Flammable liquids
H314:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Ethyl bromodifluoroacetate

InChIKey IRSJDVYTJUCXRV-UHFFFAOYSA-N
SMILES C(OCC)(=O)C(Br)(F)F

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