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Cas Database |
| Name |
Diethyl (2-oxopropyl)phosphonate |
EINECS | 682-094-9 |
| CAS No. | 1067-71-6 | Density | 1.09 g/cm3 |
| PSA | 62.41000 | LogP | 1.84150 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H15O4P | Boiling Point | 263.1 °C at 760 mmHg |
| Molecular Weight | 194.167 | Flash Point | 126.9 °C |
| Transport Information | N/A | Appearance | CLEAR COLORLESS TO LIGHT YELLOW LIQUID |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phosphonicacid, (2-oxopropyl)-, diethyl ester (9CI);Phosphonic acid, acetonyl-, diethylester (6CI,7CI,8CI);1-Diethoxyphosphinyl-2-propanone;2-Oxopropylphosphonicacid diethyl ester;Diethyl(acetylmethyl)phosphonate;Diethyl 2-oxopropanephosphonate;Diethylacetonylphosphonate;Diethyl phosphonoacetone;NSC 408852; |
Article Data | 87 |
Diethyl (2-oxopropyl)phosphonate Synthetic route
| Conditions | Yield |
|---|---|
| for 2h; Reflux; | 100% |
| at 90℃; for 10h; | 68% |
| at 90 - 160℃; |
- 389827-60-5
[2-(Methoxycarbonyl-hydrazono)-propyl]-phosphonic acid diethyl ester
- 1067-71-6
Diethyl (2-oxopropyl)phosphonate
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetone for 3h; Ambient temperature; | 94% |
- 762-04-9
phosphonic acid diethyl ester
- 598-31-2
1-bromoacetone
- 1067-71-6
Diethyl (2-oxopropyl)phosphonate
| Conditions | Yield |
|---|---|
| With C30H36B10CuO4P2; potassium carbonate at 20℃; for 7h; Time; Reagent/catalyst; | 93% |
- 1067-71-6
Diethyl (2-oxopropyl)phosphonate
| Conditions | Yield |
|---|---|
| With dipotassium peroxodisulfate; silver(I) acetate In water; N,N-dimethyl-formamide at 85℃; for 24h; Inert atmosphere; Schlenk technique; chemoselective reaction; | 91% |
- 51533-70-1
diethyl (2-methylallyl)phosphonate
- 1067-71-6
Diethyl (2-oxopropyl)phosphonate
| Conditions | Yield |
|---|---|
| With dimethylsulfide; ozone In dichloromethane Oxidation; | 88% |
- 79-20-9
acetic acid methyl ester
- 683-08-9
Diethyl methylphosphonate
- 1067-71-6
Diethyl (2-oxopropyl)phosphonate
| Conditions | Yield |
|---|---|
| With lithium diisopropyl amide In tetrahydrofuran at 0℃; for 4.5h; | 87% |
| With n-butyllithium In tetrahydrofuran at -78 - 20℃; |
| Conditions | Yield |
|---|---|
| Stage #1: chloroacetone With potassium iodide In acetone at 20℃; for 2h; Stage #2: triethyl phosphite In diethyl ether; acetone for 2h; Reflux; | 85% |
| With potassium iodide In acetone; acetonitrile at 20 - 50℃; for 10h; | 83% |
| With sodium iodide In acetonitrile at 20℃; | 51% |
- 151026-96-9
diethyl 1-methylthio-2-oxo-n-propylphosphonate
- 1067-71-6
Diethyl (2-oxopropyl)phosphonate
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In toluene for 1h; Heating; | 81% |
- 1067-71-6
Diethyl (2-oxopropyl)phosphonate
| Conditions | Yield |
|---|---|
| With oxalic acid; silica gel In dichloromethane for 1h; Ambient temperature; | 80% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water; oxygen; palladium dichloride at 85℃; for 20h; | 80% |
Diethyl (2-oxopropyl)phosphonate Chemical Properties
Molecule structure of Phosphonic acid,P-(2-oxopropyl)-, diethyl ester (CAS NO.1067-71-6):
IUPAC Name: 1-Diethoxyphosphorylpropan-2-one
Molecular Weight: 194.165361 [g/mol]
Molecular Formula: C7H15O4P
Index of Refraction: 1.417
Molar Refractivity: 44.87 cm3
Molar Volume: 178 cm3
Surface Tension: 33.1 dyne/cm
Density: 1.09 g/cm3
Flash Point: 126.9 °C
Enthalpy of Vaporization: 50.09 kJ/mol
Melting Point: 126 °C at 9 mm Hg(lit.)
Boiling Point: 263.1 °C at 760 mmHg
Vapour Pressure: 0.0105 mmHg at 25 °C
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Tautomer Count: 3
Exact Mass: 194.070795
MonoIsotopic Mass: 194.070795
Topological Polar Surface Area: 52.6
Heavy Atom Count: 12
Canonical SMILES: CCOP(=O)(CC(=O)C)OCC
InChI: InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3
InChIKey: RSAFKRSMGOSHRK-UHFFFAOYSA-N
Product Categories: C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination
Diethyl (2-oxopropyl)phosphonate Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Diethyl (2-oxopropyl)phosphonate Specification
Phosphonic acid,P-(2-oxopropyl)-, diethyl ester (CAS NO.1067-71-6) is also called Diethyl acetonylphosphonate ; Diethyl (2-oxopropyl)phosphonate ; (2-Oxo-propyl)-phosphonicaciddiethylester .
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