HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
methyl 4-methoxy-1H-indole-2-carboxylate
METHYL 4-METHOXY-1H-INDOLE-2-CARBOXYLATE · Ethyl 4-Methoxy-1H-indole-2-carboxylate · AKOS JY2083512 · METHYL 4-METHOXYINDOLE-2-CARBOXYLATE · Methyl 4-methoxy-2-indolecarboxylate · Methyl 4-methoxy-2-indolecarboxylate 99% · METHYL 4-METHOXY-2-INDOLECARBOXYLATE, 99 % · 4-METHOXYINDOLE-2-CARBOXYLIC ACID METHYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 111258-23-2 |
|---|---|
| Summenformel | C11H11NO3 |
| Durchschnittliche Molmasse | 205,21 g/mol |
| Monoisotopische Masse | 205,07389321 g/mol |
| SMILES | COC(=O)c1cc2c(OC)cccc2[nH]1 |
| InChIKey | GLCZQTLCVLVFGV-UHFFFAOYSA-N |
| PubChem CID | 688172 |
| ChEMBL | CHEMBL3290544 |
| DTXSID | DTXSID60350811 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 244 |
| Schmelzpunkt | 140-142 °C(lit.) |
| Siedepunkt | 370.1±22.0 °C(Predicted) |
| Dichte | 1.253±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 15.20±0.30(Predicted) |
| InChI | 1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3 |
| InChIKey | GLCZQTLCVLVFGV-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc2c(OC)cccc2[nH]1 |
| CAS Datenbank | 111258-23-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29339980 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
reactant in [3+2] annulation reactions 1 reactant in preparation of inhibitors of mammalian secreted phospholipases A2 2 reactant in Heck reactions 3 reactant in preparation of indole fatty alcohol derivatives 4 reactant in methylation reactions.