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Cas Database |
| Name |
Ethyl trifluoropyruvate |
EINECS | N/A |
| CAS No. | 13081-18-0 | Density | 1.328 g/cm3 |
| PSA | 43.37000 | LogP | 0.68090 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H5F3O3 | Boiling Point | 88.1 °C at 760 mmHg |
| Molecular Weight | 170.088 | Flash Point | 8.1 °C |
| Transport Information | UN 3272 3/PG 3 | Appearance | Yellow to pale yellow clear liquid |
| Safety | 26-37/39-16 | Risk Codes | 10-22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, C, Xi
|
| Synonyms |
Pyruvicacid, trifluoro-, ethyl ester (7CI);3,3,3-Trifluoro-2-oxopropanoic acid ethylester;Ethyl 2-oxo-3,3,3-trifluoropropanoate;Ethyl3,3,3-trifluoro-2-oxopropanoate; |
Article Data | 10 |
Ethyl trifluoropyruvate Synthetic route
- 10186-66-0
2-fluoro-2-ethoxy-trifluoropropionic acid ethyl ester
- 13081-18-0
ethyl-3,3,3-trifluoropyruvate
| Conditions | Yield |
|---|---|
| With SbF5 | 83% |
| With sulfuric acid; silica gel | |
| With sulfuric acid; silica gel at 140℃; |
- 10186-66-0
2-fluoro-2-ethoxy-trifluoropropionic acid ethyl ester
A
- 353-36-6
1-fluoroethane
B
- 13081-18-0
ethyl-3,3,3-trifluoropyruvate
| Conditions | Yield |
|---|---|
| antimony pentafluoride In neat (no solvent) | A n/a B 83% |
- 94726-00-8
ethyl 3,3,3-trifluoro-2-hydroxypropanoate
- 13081-18-0
ethyl-3,3,3-trifluoropyruvate
| Conditions | Yield |
|---|---|
| With sodium hypochlorite pentahydrate In acetonitrile at 20℃; for 0.5h; Reagent/catalyst; Solvent; | 69% |
- 26728-43-8
ethyl 3,3,3-trifluoropyruvate ethylhemiketal
- 13081-18-0
ethyl-3,3,3-trifluoropyruvate
| Conditions | Yield |
|---|---|
| With sulfuric acid under 16.5017 - 49.505 Torr; | 67% |
| Conditions | Yield |
|---|---|
| With zinc In pyridine at 20℃; for 2h; other esters; other perfluoroalkyl iodide; | 38% |
| With zinc In pyridine at 20℃; for 2h; | 38% |
| With zinc In pyridine at 20℃; 1) pyridine, 20 deg C; | 38% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride Heating; |
- 300-57-2
allylbenzene
- 13081-18-0
ethyl-3,3,3-trifluoropyruvate
| Conditions | Yield |
|---|---|
| silver hexafluoroantimonate; (S)-SEGPHOS-PdCl2 In dichloromethane at 20℃; for 0.5h; Ene reaction; | 100% |
| With silver hexafluoroantimonate; (R)-(2,2'-bis(diphenylphosphanyl)biphenyl)dichloroplatinum(II) In dichloromethane at -20℃; for 1h; | 83% |
- 13081-18-0
ethyl-3,3,3-trifluoropyruvate
- 1192-37-6
methylenecyclohexane
| Conditions | Yield |
|---|---|
| silver hexafluoroantimonate; (S)-SEGPHOS-PdCl2 In dichloromethane at 20℃; for 0.25h; Ene reaction; | 100% |
| With silver hexafluoroantimonate; [(R)-BINAPHANE]PdCl2 In dichloromethane at 20℃; for 1h; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 78% |
| With silver hexafluoroantimonate; chiral SEGPHOS-Pd(II) In dichloromethane at 20℃; for 0.25h; Friedel-Crafts reaction; |
- 300-57-2
allylbenzene
- 13081-18-0
ethyl-3,3,3-trifluoropyruvate
| Conditions | Yield |
|---|---|
| With silver hexafluoroantimonate; chiral SEGPHOS-Pd(II) In dichloromethane at 20℃; for 0.5h; Friedel-Crafts reaction; | 100% |
Ethyl trifluoropyruvate Chemical Properties
Product Name: Ethyl trifluoropyruvate (CAS NO.13081-18-0)
Molecular Formula: C5H5F3O3
Molecular Weight: 170.09g/mol
Mol File: 13081-18-0.mol
Density: 1.328 g/cm3
Boiling point: 88.1°C at 760 mmHg
Flash point: 8.1°C
Index of Refraction:1.348
Molar Refractivity:27.47 cm3
Surface Tension: 24.3 dyne/cm
Enthalpy of Vaporization: 32.83 kJ/mol
Vapour Pressure: 62 mmHg at 25°C
Appearance:yellow to pale yellow clear liquid
IUPAC Name:ethyl 3,3,3-trifluoro-2-oxopropanoate
Ethyl trifluoropyruvate Safety Profile
Hazard Codes:Xn,C,Xi
Xn:Harmful
C:Corrosive
Xi:Irritant
Risk Statements:
R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection .
S16:Keep away from sources of ignition - No smoking.
RIDADR:UN 3272 3/PG 3
WGK Germany :3
Hazard Note:Corrosive
HazardClass3
PackingGroup:III
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