6-Methoxyisoquinoline
6-METHOXY-ISOQUINOLINE · 6-methoxylisoquinoline · Isoquinoline, 6-methoxy- · 6-Methoxyisoquinoline 90% · 6-Methoxy-2-azanaphthalene · 6-ISOQUINOLINYL METHYL ETHER · 6-Methoxyisoquinoline, 98% (Custom work) · 6-Methoxyisoquinoline ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 52986-70-6 |
|---|---|
| Summenformel | C10H9NO |
| Durchschnittliche Molmasse | 159,18 g/mol |
| Monoisotopische Masse | 159,06841391 g/mol |
| SMILES | COc1ccc2cnccc2c1 |
| InChIKey | XZNUJESLPUNSNO-UHFFFAOYSA-N |
| PubChem CID | 11040978 |
| EC No. | 836-137-5 |
| DTXSID | DTXSID60452920 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 22,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 149 |
| LogP (Verteilungskoeffizient) | 2.22 |
| Siedepunkt | 88-95C/0.8 Torr |
| Dichte | 1.130±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Dichloromethane |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 6.11±0.10(Predicted) |
| Farbe | Pale Yellow |
| InChI | InChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3 |
| InChIKey | XZNUJESLPUNSNO-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=C(OC)C=C2)C=CN=1 |
| CAS Datenbank | 52986-70-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2933499090 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
6-Methoxy Isoquinoline (cas# 52986-70-6) is a compound useful in organic synthesis.
Herstellung & Synthese
synthetische
6-Methoxyisoquinoline synthesis: Using benzaldehyde as the starting material, m-methoxybenzaldehyde is obtained through nitration, reduction, diazotization, hydrolysis and methylation, and 3-methoxybenzaldehyde is obtained through condensation with nitromethane Shiff base and reduction of aluminum hydride -p-Phenylethylamine. The Pictet-Spengler reaction of 3-methoxyl-p-phenylethylamine and 40% aqueous formaldehyde produces 6-methoxyl-1,2,3,4-tetrahydroisoquinoline, and then obtains the target compound in dehydrogenation 6-Methoxyisoquinoline.