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Dimethylmethoxymethylenmalonat
DiMethyl 2-(MethoxyMethylene)Malonate · MMMM · Dimethyl 2-(methoxymethylene) · Dimethylmethoxymethylenmalonat · DIMETHYL METHOXYMETHYLENEMALONATE · DimethylMethoxymethylenemalonate>Dimethyl methoxymethylenemalonate, 98+% · thyl 2-(methoxymethylidene)propanedioate · imethyl2-(methoxymethylidene)propanedioate
Identifikatoren & physikalische Daten
| CAS No. | 22398-14-7 |
|---|---|
| Summenformel | C7H10O5 |
| Durchschnittliche Molmasse | 174,15 g/mol |
| Monoisotopische Masse | 174,05282342 g/mol |
| SMILES | COC=C(C(=O)OC)C(=O)OC |
| InChIKey | RHFZTBSULNJWEI-UHFFFAOYSA-N |
| PubChem CID | 90770 |
| EC No. | 244-957-4 |
| DTXSID | DTXSID90176925 |
| Lokaler Name | Dimethylmethoxymethylenmalonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 188 |
| Schmelzpunkt | 40-44 °C |
| Siedepunkt | 98 °C (0.5 mmHg) |
| Dichte | 1.2311 (rough estimate) |
| Brechungsindex | 1.4390 (estimate) |
| Flammpunkt | 158 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Solid |
| Farbe | White |
| InChI | InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3 |
| InChIKey | RHFZTBSULNJWEI-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)/C(=C\OC)/C(OC)=O |
| CAS Datenbank | 22398-14-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (66.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%) |
| Zollcode | 29171990 |
| R-Sätze (R) | 43-36/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 37/39-26-24 |
Anwendungen & Verwendung
Verwenden
Dimethyl 2-(Methoxymethylene)malonate is a useful synthetic intermediate. It is used in preparation of (phenoxyethoxy)quinolones with antimalarial activities. It is also a reagent used in the synthesis of bicyclic pyridones prepn. as oral selective CB2 agonists with anti-pruritic activity.