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6-Methoxy-1,2,3,4-tetrahydronaphthalin-2-on
6-Methoxytetralin-2-one · 6-METHOXY-3,4-DIHYDRONAPHTHALEN-2(1H)-ONE · Compound Fr12288 · 6-methoxy-2-Tetrlone · 4-dihydro-6-Methoxy- · 6-METHOXY-2-TETRALONE · 6-methoxyl-2-tetralone · 6-Methoxy-2-tetralone>6-METHOXY-2-TETRALONE 95%
Identifikatoren & physikalische Daten
| CAS No. | 2472-22-2 |
|---|---|
| Summenformel | C11H12O2 |
| Durchschnittliche Molmasse | 176,21 g/mol |
| Monoisotopische Masse | 176,08372962 g/mol |
| SMILES | COc1ccc2c(c1)CCC(=O)C2 |
| InChIKey | RMRKDYNVZWKAFP-UHFFFAOYSA-N |
| PubChem CID | 75582 |
| ChEMBL | CHEMBL445805 |
| EC No. | 219-592-9 |
| DTXSID | DTXSID50179452 |
| Lokaler Name | 6-Methoxy-1,2,3,4-tetrahydronaphthalin-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 200 |
| Stoffklassen | Other Classes -> Aromatic Ketones |
| Physical Description | Yellow to red-orange solidmp = 33-35 deg C[Acros Organics MSDS] |
| Schmelzpunkt | 28-35 °C |
| Siedepunkt | 114-116 °C (0.2 mmHg) |
| Dichte | 1.0431 (rough estimate) |
| Brechungsindex | n20/D 1.5645(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Crystalline Low Melting Solid |
| Farbe | Light yellow-beige to orange |
| BRN | 513418 |
| InChI | InChI=1S/C11H12O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7H,2,4,6H2,1H3 |
| InChIKey | RMRKDYNVZWKAFP-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=C(OC)C=C2)CCC1=O |
| CAS Datenbank | 2472-22-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Acros Organics MSDS] See 6-Methoxy-alpha-tetralone and 1-Tetralone. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29145090 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
6-methoxy-2-tetralone has been selected as the starting material for the synthesis of many steroidal compounds, including 2-aminotetalin derivatives, which exhibit antifungal activities, tetrahydro benzocycloheptane and many terpenoid compounds. 6-methoxy-2-tetralone is more expensive, difficult to synthesize, and unstable in comparison to 6-methoxy-1-tetralone[1].
Verwenden
6-Methoxy-3,4-dihydro-2(1H)-naphthalenone was used in the synthesis of 1, 2, 3, 4-tetrahydro-2-naphthylamine derivatives.