HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Benzyloxy-2(1H)-pyridone
4-(benzyloxy)pyridin-2(1h)-one · 2G/10G/1KG · 4-Benzyloxy-pyridin-2-ol · 4-Benzyloxypyridin-2-one · 4-benzyloxy-2(1H)-pyrodone · 4-BENZYLOXY-2(1 H)-PYRIDONE · 4-Benzyloxy-2(1 H)-pyridine · 4-BENZYLOXY-1H-PYRIDIN-2-ONE
Identifikatoren & physikalische Daten
| CAS No. | 53937-02-3 |
|---|---|
| Summenformel | C12H11NO2 |
| Durchschnittliche Molmasse | 201,22 g/mol |
| Monoisotopische Masse | 201,07897859 g/mol |
| SMILES | O=c1cc(OCc2ccccc2)cc[nH]1 |
| InChIKey | DOVNUEPFPBWTSV-UHFFFAOYSA-N |
| PubChem CID | 3607724 |
| ChEMBL | CHEMBL1475400 |
| EC No. | 628-287-3 |
| DTXSID | DTXSID30394121 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 288 |
| Löslichkeit | >30.2 [ug/mL] (The mean of the results at pH 7.4) |
| Schmelzpunkt | 201-203 °C (lit.) |
| Siedepunkt | 464.3±45.0 °C(Predicted) |
| Dichte | 1.20±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 11.09±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Yellow to orange to brown |
| InChI | 1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14) |
| InChIKey | DOVNUEPFPBWTSV-UHFFFAOYSA-N |
| SMILES | O=C1NC=CC(OCc2ccccc2)=C1 |
| CAS Datenbank | 53937-02-3 |
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29337900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Benzyloxy-2(1H)-pyridone may be used for the synthesis of novel 2-pyridone derivatives. It may be used for the alkylation of the pyridine nitrogen under mild and anhydrous conditions, via reaction with n-Bu4I and KOBu-t.