HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Menthol, fumarate (2:1), (1R,3R,4S)-
(-)-Dimenthyl fumarate · (?)-Dimenthyl fumarate · (-)-DI[(1R)-MENTHYL] FUMARATE · Menthol, fumarate (2:1), (1R,3R,4S)- · Fumaric acid bis[(1R,1β,4α)-p-menthane-3β-yl] ester · Fumaric acid bis[(1R,1β,4S)-p-menthane-3β-yl] ester · Bis(2-isopropyl-5-methylcyclohexyl) but-2-enedioate · Bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) fumarate
Identifikatoren & physikalische Daten
| CAS No. | 34675-24-6 |
|---|---|
| Summenformel | C24H40O4 |
| Durchschnittliche Molmasse | 392,6 g/mol |
| SMILES | CC1CCC(C(C)C)C(OC(=O)/C=C/C(=O)OC2CC(C)CCC2C(C)C)C1 |
| InChIKey | HTJZKHLYRXPLLS-NGHDTEGZSA-N |
| PubChem CID | 5372421 |
Chemische & physikalische Eigenschaften
| XLogP | 7,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 503 |
| Schmelzpunkt | 59-61 °C (lit.) |
| Siedepunkt | 211 °C/5 mmHg (lit.) |
| Dichte | 0.9985 (rough estimate) |
| Brechungsindex | 1.4460 (estimate) |
| Aggregatzustand | Low Melting Solid or Powder |
| Farbe | Colorless to off-white |
| BRN | 2568525 |
| InChIKey | HTJZKHLYRXPLLS-NGHDTEGZSA-N |
| SMILES | C[C@@H]1CC[C@@H](C(C)C)[C@@H](C1)OC(=O)\C=C\C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(-)-Dimenthyl Fumarate is used as a reagent in organic chemical synthesis of several compounds including that of pentacyclic steroids via tandem stille coupling. It was also used in synthesis of Lobucavir (L469360) which is an antiviral agent.