Cyclobutylamin
Cyclobutanamine · AMINOCYCLOBUTANE · obutyL · AURORA KA-7608 · Ring-butylaMine · CYCLOBUTYLAMINE · 1-Cyclobutanamine · CyclobutylaMine 98%
Identifikatoren & physikalische Daten
| CAS No. | 2516-34-9 |
|---|---|
| Summenformel | C4H9N |
| Durchschnittliche Molmasse | 71,12 g/mol |
| Monoisotopische Masse | 71,07349929 g/mol |
| SMILES | NC1CCC1 |
| InChIKey | KZZKOVLJUKWSKX-UHFFFAOYSA-N |
| PubChem CID | 75645 |
| EC No. | 219-736-0 |
| DTXSID | DTXSID00870982 |
| Lokaler Name | Cyclobutylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 30,6 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | 133-135.5 °C(Solv: ligroine (8032-32-4)dichloromethane (75-09-2)) |
| Siedepunkt | 81.5 °C752 mm Hg(lit.) |
| Dichte | 0.833 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.437(lit.) |
| Flammpunkt | 24 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 10.80±0.20(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Löslichkeit | slightly soluble |
| BRN | 2069297 |
| InChI | 1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2 |
| InChIKey | KZZKOVLJUKWSKX-UHFFFAOYSA-N |
| SMILES | NC1CCC1 |
| CAS Datenbank | 2516-34-9(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclobutylamine(2516-34-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2733 3/PG 2 |
| Zollcode | 29213000 |
| R-Sätze (R) | 11-34-20/21/22-36/37/38 |
| Gefahrensymbole | F,C,Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39-45-33-7/9 |
| Gefahrenklasse | 3Flam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Cyclobutylamine is a substrate employed in a microwave-assisted synthesis of 7-azaindoles from dihalopyridines. Also it is a reactant in the preparation of imidazo[1,2-b]pyridazine derivatives as selective and orally available Mps1 (TTK) kinase inhibitors.
Herstellung & Synthese
synthetische
The preparation of cyclobutylamine from cyclobutanecarboxylic acid and hydrazoic acid has been reported previously. Cyclobutylamine has also been prepared by the Hofmann-type rearrangement of cyclobutanecarboxamide. More recently it has been prepared in 82–87% overall yield from cyclobutanecarboxamide by oxidative rearrangement with lead tetraacetate or iodosobenzene diacetate.Synthesis of cyclobutylamine