HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 5-(2-bromoacetyl)-2-hydroxybenzoate
Methyl 5-(2-broMoacetyl)-2-hydroxybenzoate · Labetalol Impurity 8 · Labetolol impurity 8 · Methyl 5-(bromoacetyl)salicylate · 3-CarboMethoxy-4-hydroxy-α-broMoacet · Metribuzin Impurity 7 (Isomethiozin) · Methyl 5-(bromoacetyl)-2-hydroxybenzoate · 5-(Bromoacetyl)salicylic acid methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 36256-45-8 |
|---|---|
| Summenformel | C10H9BrO4 |
| Durchschnittliche Molmasse | 273,08 g/mol |
| Monoisotopische Masse | 271,96842087 g/mol |
| SMILES | COC(=O)c1cc(C(=O)CBr)ccc1O |
| InChIKey | YRPHNSODVHXAOP-UHFFFAOYSA-N |
| PubChem CID | 11601501 |
| DTXSID | DTXSID70469286 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 254 |
| Schmelzpunkt | 91-92℃ |
| Siedepunkt | 390.2±32.0 °C(Predicted) |
| Dichte | 1.601±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.52±0.20(Predicted) |
| Farbe | Off-White to Pale Brown |
Anwendungen & Verwendung
Verwenden
3-Carbomethoxy-4-hydroxy-α-bromoacetophenone, can be used for the synthesis of carboxyarylindoles and benzofurans as nonsteroidal antiinflammatory agents.
Herstellung & Synthese
synthetische
Obtained by reaction of dioxane dibromide with methyl 5-acetyl-2-hydroxybenzoate in dioxane/ethyl ether mixture (76%).