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Methyldiethylphosphonoacetat
Methyl 2-(diethoxyphosphoryl)acetate · POME · diethyl methoxycarbonylmethyl phosphonate · APAZ-027 · NSC 147757 · LABOTEST-BB LT00452673 · Mirogabalin Impurity 59 · DIETHYLMETHYLPHOSPHONOACETATE
Identifikatoren & physikalische Daten
| CAS No. | 1067-74-9 |
|---|---|
| Summenformel | C7H15O5P |
| Durchschnittliche Molmasse | 210,16 g/mol |
| Monoisotopische Masse | 210,06571021 g/mol |
| SMILES | CCOP(=O)(CC(=O)OC)OCC |
| InChIKey | CTSAXXHOGZNKJR-UHFFFAOYSA-N |
| PubChem CID | 66113 |
| EC No. | 213-938-2 |
| DTXSID | DTXSID50147732 |
| Lokaler Name | Methyldiethylphosphonoacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 193 |
| Siedepunkt | 127-131 °C9 mm Hg(lit.) |
| Dichte | 1.145 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.433(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Miscible with tetrahydrofuran. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to faint yellow |
| BRN | 1782397 |
| InChI | InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3 |
| InChIKey | CTSAXXHOGZNKJR-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)CP(OCC)(OCC)=O |
| CAS Datenbank | 1067-74-9(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, phosphono-, p,p-diethyl c-methyl ester(1067-74-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Diethyl methoxycarbonylmethanephosphonate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (97.9%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29310095 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
Methyl diethylphosphonoacetate is used as a reagent in the preparation of allylic fluorides compounds and in regioselective Diels-Alder reactions. It also serves as a reactant in the preparation of substituted thiophenes and furans, which finds application in type 2 diabetes treatment. Further, it acts as a precursor in the synthesis of pyridone alkaloids and immunosuppressive cyclopentanediol derivatives. In addition to this, it is utilized in the modification of botulinum neurotoxin serotype A protease inhibitors.