2-Pyridylmethanol
2-PYRIDINEMETHANOL · 2-Pyridine · (S)-Tryptophan Methyl ester hydrochloride · Piconol · PYRIDINE-2-METHANOL · PyridineMethanol · 2-PYRIDYLMETHANOL · 2-PYRIDINYLMETHANOL
Identifikatoren & physikalische Daten
| CAS No. | 586-98-1 |
|---|---|
| Summenformel | C6H7NO |
| Durchschnittliche Molmasse | 109,13 g/mol |
| Monoisotopische Masse | 109,05276384 g/mol |
| SMILES | OCc1ccccn1 |
| InChIKey | SHNUBALDGXWUJI-UHFFFAOYSA-N |
| PubChem CID | 11474 |
| ChEMBL | CHEMBL2103981 |
| ChEBI | CHEBI:195070 |
| EC No. | 209-592-7 |
| DTXSID | DTXSID8046531 |
| Lokaler Name | 2-Pyridylmethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 65,5 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| SpringerMaterials Properties | Surface tension |
| LogP (Verteilungskoeffizient) | 0.06 |
| Dampfdruck | 0.02 [mmHg]3.47Pa at 25℃ |
| Physical Description | Clear hygroscopic liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 5 °C |
| Siedepunkt | 112-113 °C/16 mmHg (lit.) |
| Dichte | 1.131 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.543(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | miscible |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 13.48±0.10(Predicted) |
| Farbe | Clear colorless to yellow or brown |
| Wichte | 1.131 |
| pH | 6-8 (100g/l, H2O, 20℃) |
| Geruch | pyridine odor |
| BRN | 107849 |
| InChI | 1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2 |
| InChIKey | SHNUBALDGXWUJI-UHFFFAOYSA-N |
| SMILES | OCc1ccccn1 |
| LogP (Verteilungskoeffizient) | 0.11 |
| CAS Datenbank | 586-98-1(CAS DataBase Reference) |
| NIST chemische Informationen | Piconol(586-98-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87.7%): 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 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 12-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/199222-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 1,000 mg/kg[RTECS] A skin and strong eye irritantHarmful by ingestion[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (87.7%) |
| F | 3-8 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333999 |
| RTECS-Nr. | UT4689000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant/Keep Cold/Hygroscopic |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT, HYGROSCOPIC, KEEP COLDAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
decongestant
Herstellung & Synthese
synthetische
The preparation of 2-(Hydroxymethyl)pyridine is as follows:NaOH (0.5 g, 12.5 mmol), Al2O3 (2.0 g, 19.6 mmol), aldehyde 1f-g (2 mmol) and H2O (400 μL) were grinded in a mortar. Next, the paste were placed in a glass 10 mL pressure vials and reaction was carried out in microwave reactor: standard mode (200 W), 100 °C, 2 min. After that, reaction mixture was extracted with DCM (2 × 20 mL). Organic layer was evaporated under reduce pressure yielding 2f-g. Solid residue was washed by water (2 × 15 mL). Aqueous phase was acidify with 1N HCl to pH 5.5 and centrifuged. After that aqueous layer was pour down and precipitate was lyophilisated. Products 3f-g were obtained as white solids.