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1-Methylpyrrolidin
N-METHYLPYRROLIDINE · Methylpyrrolidine · 1-methyl · Pyrrolidine,1-methyl- · NSC 65579 · 1-Methylpyrrodine · 1-methyl-pyrrolidin · 1-METHYLPYRROLIDINE
Identifikatoren & physikalische Daten
| CAS No. | 120-94-5 |
|---|---|
| Summenformel | C5H11N |
| Durchschnittliche Molmasse | 85,15 g/mol |
| Monoisotopische Masse | 85,08914935 g/mol |
| SMILES | CN1CCCC1 |
| InChIKey | AVFZOVWCLRSYKC-UHFFFAOYSA-N |
| PubChem CID | 8454 |
| ChEMBL | CHEMBL665 |
| ChEBI | CHEBI:234043 |
| EC No. | 204-438-5 |
| DTXSID | DTXSID8042210 |
| Lokaler Name | 1-Methylpyrrolidin |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 37,2 |
| Stoffklassen | Nitrogen Compounds -> Amines, CyclicFlammable agents - 3rd degree |
| Arzneimittel | Pharmaceuticals -> Metabolite of Cefepime |
| Kosmetika | Surfactant |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 0.92 |
| Dichte | 0.8054 @25 °C0.800 g/mL at 20 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Siedepunkt | 80.5 °C @760 [mm Hg]76-80 °C (lit.) |
| Schmelzpunkt | -90 °C |
| Dampfdruck | 100.0 [mmHg]100 hPa (20 °C) |
| Physical Description | Liquid[Alfa Aesar MSDS] |
| Dissociation Constants | 10.3 |
| Brechungsindex | n20/D 1.425 |
| Flammpunkt | −7 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 213g/lfully miscible |
| pKa (Säurekonstante) | 10.32(at 25℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| pH | 11.3 (1g/l, H2O) |
| Explosionsgrenze | 1.1-9.1%(V) |
| BRN | 102445 |
| Henry-Konstante | 3.3×10-1 mol/(m3Pa) at 25℃, Cabani et al. (1971) |
| InChI | 1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3 |
| InChIKey | AVFZOVWCLRSYKC-UHFFFAOYSA-N |
| SMILES | CN1CCCC1 |
| LogP (Verteilungskoeffizient) | 1.1 at 23℃ |
| CAS Datenbank | 120-94-5(CAS DataBase Reference) |
| NIST chemische Informationen | Pyrrolidine, 1-methyl-(120-94-5) |
| EPA chemische Informationen | N-Methylpyrrolidine (120-94-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 191 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pyrrolidine, 1-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 01-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11871N-Methylpyrrolidine: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 178 mg/kg[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable agents - 3rd degree, Reactive agents - 1st degree |
| CSL Reaction Information | CSL00039N-BROMOSUCCINIMIDE + 1-METHYL-2-PYRROLIDINONE + 1-METHYLPYRROLIDINEThermal runaway from ambient to >100°CExplosiveBrominationUser-Reported |
| Protective Action Criteria (PAC) | 0.58 [mg/m3]6.4 [mg/m3]39 [mg/m3] |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) |
Anwendungen & Verwendung
Verwenden
1-Methylpyrrolidine is a methylated pyrollidine and is involved as an essential part of the structure of cefipime. It is also an active component of cigarette smoke.
Herstellung & Synthese
synthetische
n-methylpyrrolidine was successfully synthesized in an aqueous medium by using methylamine and 1,4-dibromobutane in the presence of catalyst k2co3 at a moderated temperature. here, n-methylpyrrolidine was firstly synthesized via the green chemistry process, in which both the water solvent and potassium carbonate catalyst were inexpensive and environmentally friendly. also, the reaction temperature was quite moderated at 90°C.green organic synthesis of n-methylpyrrolidine