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1H-Pyrido(4,3-b)indol-1-one, 2,3,4,5-tetrahydro-5-methyl-
5-Methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one · Alosetron InterMediates · Alosetron Related Compound A · 5-Methyl-3,4-dihydro-2H-pyrido[4,3-b]indol-1(5H)-one · 1H-PYRIDO[4,3-B]INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-5-ME · 2,3,4,5-TETRAHYDRO-5-METHYL-1H-PYRIDO[4,3-B]INDOL-1-ONE · 1H-PYRIDO[4,3-B]INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-5-METHYL- · N-(4-Methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylaMine
Identifikatoren & physikalische Daten
| CAS No. | 122852-75-9 |
|---|---|
| Summenformel | C12H12N2O |
| Durchschnittliche Molmasse | 200,24 g/mol |
| Monoisotopische Masse | 200,09496301 g/mol |
| SMILES | Cn1c2c(c3ccccc31)C(=O)NCC2 |
| InChIKey | GLHMAFAXJJECMG-UHFFFAOYSA-N |
| PubChem CID | 11790213 |
| ChEMBL | CHEMBL4459534 |
| EC No. | 602-898-5 |
| DTXSID | DTXSID70472831 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 34 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 279 |
| Schmelzpunkt | 234-238 °C(Solv: ethanol (64-17-5)) |
| Siedepunkt | 508.0±39.0 °C(Predicted) |
| Dichte | 1.31±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-30°C |
| pKa (Säurekonstante) | 14.83±0.20(Predicted) |
| Hauptanwendungen | pharmaceutical |
| InChI | 1S/C12H12N2O/c1-14-9-5-3-2-4-8(9)11-10(14)6-7-13-12(11)15/h2-5H,6-7H2,1H3,(H,13,15) |
| InChIKey | GLHMAFAXJJECMG-UHFFFAOYSA-N |
| SMILES | [n]1(c2c(c3c1CCNC3=O)cccc2)C |
| CAS Datenbank | 122852-75-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Zollcode | 2933790002 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one is useful for preparation of cyclic anti-azacarboxylation of alkynylanilines with carbon dioxide for preparation of indole-3-carboxylic acids.