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1,3-Diethyl 2-methylenepropanedioate
Diethyl 2-methylenemalonate · Diethyl methylenemalonate · 1,3-Diethyl 2-methylenepropanedioate · SKL217 · diethyl methylidenemalonate · diethyl methylidenepropanedioate · diethyl 2-methylidenepropanedioate · Diethyl ethylene-1,1-dicarboxylate
Identifikatoren & physikalische Daten
| CAS No. | 3377-20-6 |
|---|---|
| Summenformel | C8H12O4 |
| Durchschnittliche Molmasse | 172,18 g/mol |
| Monoisotopische Masse | 172,07355886 g/mol |
| SMILES | C=C(C(=O)OCC)C(=O)OCC |
| InChIKey | BQHDXNZNSPVVKB-UHFFFAOYSA-N |
| PubChem CID | 95118 |
| ChEMBL | CHEMBL1985058 |
| EC No. | 815-045-9 |
| DTXSID | DTXSID901033182 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 175 |
| Schmelzpunkt | 135.5-136.5 °C(Solv: ethanol (64-17-5)) |
| Siedepunkt | 210 °C |
| Dichte | 1.052 g/cm3(Temp: 25 °C) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Chloroform (Slightly), Dichloromethane (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Light Yellow |
| Stabilität | Light Sensitive |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (95.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (95.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (95.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 23 reports by companies from 2 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. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Corr. 1 (95.7%)Skin Sens. 1 (95.7%)Eye Dam. 1 (95.7%) |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | mouse,LD,intraperitoneal,> 500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 147, 1954. |
Anwendungen & Verwendung
Verwenden
Diethyl 2-methylenemalonate could be a used reagent for synthesizing donor-acceptor cyclobutanes via copper acetate or iron trichloride catalyzed [2+2] cycloaddition.g