3'-Hydroxypropiophenon
Ephedrine Impurity 7 · 3'-Hydroxypropiophenone · 3-HYDROXY PROPIOPHENONE · 3'-Hydroxypropiophenone, 98% · 1-(3-hydroxyphenyl)propan-1-one · 1-Propanone,1-(3-hydroxyphenyl)- · Metaramine bitartrate Impurity 44 · Metaraminol bitartrate Impurity 44
Identifikatoren & physikalische Daten
| CAS No. | 13103-80-5 |
|---|---|
| Summenformel | C9H10O2 |
| Durchschnittliche Molmasse | 150,17 g/mol |
| Monoisotopische Masse | 150,06807956 g/mol |
| SMILES | CCC(=O)c1cccc(O)c1 |
| InChIKey | YXOGDBMOFMQLEU-UHFFFAOYSA-N |
| PubChem CID | 83141 |
| ChEMBL | CHEMBL457730 |
| EC No. | 236-027-1 |
| DTXSID | DTXSID60156855 |
| Lokaler Name | 3'-Hydroxypropiophenon |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 142 |
| Schmelzpunkt | 82 °C |
| Siedepunkt | 288.9±23.0 °C(Predicted) |
| Dichte | 1.104±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.09±0.10(Predicted) |
| Farbe | Off-White to Beige |
| InChI | InChI=1S/C9H10O2/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3 |
| InChIKey | YXOGDBMOFMQLEU-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC(O)=C1)(=O)CC |
| CAS Datenbank | 13103-80-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): 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)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Zollcode | 2914500090 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
1-(3-Hydroxyphenyl)-1-propanone is a reactant used to synthesize tricyclic fused pyridines, a family of alkaloids with antimalarial activity.
Herstellung & Synthese
synthetische
Preparation by diazotization of m-aminopropiophenone, followed by decomposition of the diazonium salt obtained, (71%) Also obtained by saponification of 3-acetoxypropiophenone (b.p.2 127–128°) with refluxing 10% sodium hydroxide for 2–3 h (83%) Also obtained by reductive deamination of 2-amino-5-hydroxypropiophenone (diazotization, followed by decomposition of the diazonium salt formed with copper powder in ethanol) Also obtained by reaction of ethylmagnesium bromide with 3-hydroxy-N, N-diethylbenzamide in refluxing n-butyl ether for 4 h (75%) Also obtained by treatment of 3-methoxypropiophenone (b.p.0.05 70–76°) with pyridinium chloride at 210° for 30 min (85%) Also obtained by treatment of 1-hydroxy-1-(3-hydroxyphenyl)propane (m.p. 105–107°) with DDQ in dioxane for 72 h (97%).