6-Methoxypyridazin-3-amin
6-methoxypyridazin-3-amine · 6-Methoxy-3-pyridazinamine · 6-Amino-3-methoxypyridazine · 3-PyridazinaMine, 6-Methoxy- · EOS-62222 · NSC 73703 · Netarsudil Impurity 12 · 3-Methoxy-6-aminopyridazine
Identifikatoren & physikalische Daten
| CAS No. | 7252-84-8 |
|---|---|
| Summenformel | C5H7N3O |
| Durchschnittliche Molmasse | 125,13 g/mol |
| Monoisotopische Masse | 125,05891186 g/mol |
| SMILES | COc1ccc(N)nn1 |
| InChIKey | YPWBPONDYDVMLX-UHFFFAOYSA-N |
| PubChem CID | 81673 |
| EC No. | 230-670-1 |
| DTXSID | DTXSID00222846 |
| Lokaler Name | 6-Methoxypyridazin-3-amin |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 61 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 88 |
| Schmelzpunkt | 108-109℃ |
| Siedepunkt | 353.5±22.0 °C(Predicted) |
| Dichte | 1.224 |
| Lagerbedingungen | 2-8°C(protect from light) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 5.84±0.10(Predicted) |
| InChI | InChI=1S/C5H7N3O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7) |
| InChIKey | YPWBPONDYDVMLX-UHFFFAOYSA-N |
| SMILES | C1(N)=NN=C(OC)C=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (40%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Zollcode | 2933998090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xi,Xn |
Anwendungen & Verwendung
Beschreibung
3-amino-6-methoxypyridazine: a critical pharmaceutical intermediate.It can be used for pyridopyrimidine compounds with remarkable biological activity or medicines, such as the anticancer drug Ruugeli, which can be used for treating indications such as pain caused by endometriosis, uterine fibroids and advanced prostate cancer. At present, many reports on the preparation method of the compound exist, and various process impurities such as 3-amino-6-chloropyridazine, 3-amino-6-hydroxypyridazine, 3-chloro-6-hydroxypyridazine, 3-dichloropyridazine, 3, 6-dimethoxypyridazine, 3-amino-6-methoxypyridazine, 3-aminopyridazine and the like are often introduced in the process of the conventional synthesis process.
Verwenden
3-Amino-6-methoxypyridazine is an organic reagent that can be used as a key intermediate in the preparation of Relugoli.