HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2'-Hydroxy-3'-methoxyacetophenone
1-(2-hydroxy-3-Methoxyphenyl)ethan-1-one · Nsc 46634 · Resorcinol Impurity 63 · 2'-Hydroxy-3'-methoxyacetophenone · Acetophenone, 2-hydroxy-3'-methoxy- · -(2-hydroxy-3-methoxy-phenyl)ethanone · 1-(2-hydroxy-3-methoxy-phenyl)ethanone · Ethanone, 1-(2-hydroxy-3-Methoxyphenyl)-
Identifikatoren & physikalische Daten
| CAS No. | 703-98-0 |
|---|---|
| Summenformel | C9H10O3 |
| Durchschnittliche Molmasse | 166,17 g/mol |
| Monoisotopische Masse | 166,06299418 g/mol |
| SMILES | COc1cccc(C(C)=O)c1O |
| InChIKey | VZEOJJIAYZCDPI-UHFFFAOYSA-N |
| PubChem CID | 95993 |
| EC No. | 836-310-5 |
| DTXSID | DTXSID50220574 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 167 |
| Schmelzpunkt | 54 °C |
| Siedepunkt | 247.2±20.0 °C(Predicted) |
| Dichte | 1.158±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.17±0.10(Predicted) |
| Farbe | Pale Yellow to Light Yellow |
| InChI | InChI=1S/C9H10O3/c1-6(10)7-4-3-5-8(12-2)9(7)11/h3-5,11H,1-2H3 |
| InChIKey | VZEOJJIAYZCDPI-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=CC(OC)=C1O)C |
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%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
2''-Hydroxy-3''-methoxyacetophenone, is an intermediate used for he synthesis of various chemical compounds. It can be used for the synthesis of 4''-Hydroxy-3-methoxyflavones with potent antipicornavirus activity.
Herstellung & Synthese
synthetische
Preparation from 2,3-dimethoxybenzonitrile and methyl-magnesium iodide in refluxing ethyl ether (Grignard reaction) (75%).