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Bis(1,1-dimethylethyl)malonat
DI-T-BUTYL MALONATE · MALONIC ACID DI-TERT-BUTYL ESTER · Di-tert-Butyl malote · Di-tert-Butyl malona · Di-tetr butyl malonate · DI-TERT-BUTYL MALONATE · Di-tert-butylMalonate>Di-t-butyl malonate, 98+% · Di-tert-butylmalonate,98+%
Identifikatoren & physikalische Daten
| CAS No. | 541-16-2 |
|---|---|
| Summenformel | C11H20O4 |
| Durchschnittliche Molmasse | 216,27 g/mol |
| Monoisotopische Masse | 216,13615912 g/mol |
| SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C |
| InChIKey | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
| PubChem CID | 68324 |
| EC No. | 208-769-6 |
| DTXSID | DTXSID8060244 |
| Lokaler Name | Bis(1,1-dimethylethyl)malonat |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 216 |
| Schmelzpunkt | -7--6 °C (lit.) |
| Siedepunkt | 110-111 °C/22 mmHg (lit.) |
| Dichte | 0.966 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.418(lit.) |
| Flammpunkt | 88 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl AcetateIt is hardly soluble in water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 11.87±0.46(Predicted) |
| Farbe | Clear colorless to slightly yellow |
| Merck | 14,3034 |
| BRN | 1781766 |
| InChI | 1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3 |
| InChIKey | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C |
| CAS Datenbank | 541-16-2(CAS DataBase Reference) |
| NIST chemische Informationen | di-tert-Butyl malonate(541-16-2) |
| EPA chemische Informationen | Propanedioic acid, bis(1,1-dimethylethyl) ester (541-16-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (25%): Combustible liquid [Warning Flammable liquids]P210, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (25%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29171910 |
| R-Sätze (R) | 36/37/38-24/25 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Di-tert-butyl malonate, is used as a pharmaceutical intermediate. it can be used to produce Diazomalonsaeure-di-tert-butylester at the ambient temperature. It will need reagents cesium carbonate, p-toluenesulfonyl azide and solvent tetrahydrofuran with the reaction time of 1 hour. T