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1067-71-6

Basic Information
CAS No.: 1067-71-6
Name: Diethyl (2-oxopropyl)phosphonate
Article Data: 87
Molecular Structure:
Molecular Structure of 1067-71-6 (Diethyl (2-oxopropyl)phosphonate)
Formula: C7H15O4P
Molecular Weight: 194.167
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;
EINECS: 682-094-9
Density: 1.09 g/cm3
Boiling Point: 263.1 °C at 760 mmHg
Flash Point: 126.9 °C
Appearance: CLEAR COLORLESS TO LIGHT YELLOW LIQUID
Safety: 24/25
PSA: 62.41000
LogP: 1.84150
Synthetic route
598-31-2

1-bromoacetone

122-52-1

triethyl phosphite

1067-71-6

Diethyl (2-oxopropyl)phosphonate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With C30H36B10CuO4P2; potassium carbonate at 20℃; for 7h; Time; Reagent/catalyst;93%

diethyl (2-hydroxy-4-oxopent-2-en-3-yl)phosphonate

1067-71-6

Diethyl (2-oxopropyl)phosphonate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With lithium diisopropyl amide In tetrahydrofuran at 0℃; for 4.5h;87%
With n-butyllithium In tetrahydrofuran at -78 - 20℃;
78-95-5

chloroacetone

122-52-1

triethyl phosphite

1067-71-6

Diethyl (2-oxopropyl)phosphonate

Conditions
ConditionsYield
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
ConditionsYield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In toluene for 1h; Heating;81%

((E)-2-Pyrrolidin-1-yl-propenyl)-phosphonic acid diethyl ester

1067-71-6

Diethyl (2-oxopropyl)phosphonate

Conditions
ConditionsYield
With oxalic acid; silica gel In dichloromethane for 1h; Ambient temperature;80%
5954-65-4

diethyl ester of 2-methylvinylphosphonic acid

1067-71-6

Diethyl (2-oxopropyl)phosphonate

Conditions
ConditionsYield
With hydrogenchloride; water; oxygen; palladium dichloride at 85℃; for 20h;80%
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    1067-71-6 CAS NO.1067-71-6

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Chemistry

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

Safety Profile

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

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 .