(Diethoxyphosphinyl)acetic acid
2-(diethoxyphosphoryl)acetic acid · NSC 272281 · Diethyl sulfonic acid · Venadaparib Impurity 39 · Mirogabalin Impurity 60 · acetyl diethyl phosphate · Diethyl phosphonoacetate · Diethylphosphoacetic acid
Identifikatoren & physikalische Daten
| CAS No. | 3095-95-2 |
|---|---|
| Summenformel | C6H13O5P |
| Durchschnittliche Molmasse | 196,14 g/mol |
| Monoisotopische Masse | 196,05006015 g/mol |
| SMILES | CCOP(=O)(CC(=O)O)OCC |
| InChIKey | DVQMPWOLBFKUMM-UHFFFAOYSA-N |
| PubChem CID | 36704 |
| EC No. | 608-560-3 |
| DTXSID | DTXSID10953093 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 180 |
| Siedepunkt | 150 °C/0.05 mmHg (lit.) |
| Dichte | 1.220 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.445(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Viscous Liquid |
| pKa (Säurekonstante) | 3.48±0.10(Predicted) |
| Wichte | 1.220 |
| Farbe | Clear colorless to yellow |
| InChI | InChI=1S/C6H13O5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8) |
| InChIKey | DVQMPWOLBFKUMM-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CP(OCC)(OCC)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-05-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5850 |
| Hazard Classes and Categories | Acute Tox. 4 (87.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29319090 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
Diethylphosphonoacetic Acid (DPA) is a Horner-Wadsworth-Emmons (HWE) reagent. The mixed anhydride of trifluoroacetic acid—diethylphosphonoacetic acid Treat a 21-hydroxy-20-keto steroid leads directly to cardenolides by an intramolecular Horner-Emmons reaction. It could also used as a dummy template to prepare a molecularly imprinted polymer for use as an artificial receptor for organophosphorus pesticides (OPPs)[1-3].
Verwenden
Diethylphosphonoacetic Acid is a reagent that is used for enantioselective preparation of α-phosphoryl-α,β-unsatd.-δ-aryl-δ-lactones from nonracemic β-hydroxyaldehydes and their conversion to α-methylene-δ-aryl-δ-lactones.