(1-acetamido-7-chloro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl) N-methyl-N-(2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl)carbamate
Grundinformationen
- CAS
60092-32-2- Standard-SMILES
CC(=O)NC1C(OC(=O)N(C)C2C3CN4CCC(O3)C24)CN2CCC(Cl)C12- InChIKey
CPFZPQRTCRBNRM-UHFFFAOYSA-N- Summenformel
- C18H27ClN4O4
- Durchschnittliche Molmasse
- 398,9 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (1-acetamido-7-chloro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl) N-methyl-N-(2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl)carbamate
- IUPAC
- (1-acetamido-7-chloro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl) N-methyl-N-(2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl)carbamate
- Englischer Name
- (Hexahydro-2,4-methano-4H-furo[3,2-b]pyrrol-3-yl)methylcarbamic acid [6-acetylamino-4-chloro-1-azabicyclo[3.3.0]octan-7-yl] ester
- Summenformel
- C18H27ClN4O4
- Molmasse
- 398.88
Namen und Synonyme
Lolidine(Hexahydro-2,4-methano-4H-furo[3,2-b]pyrrol-3-yl)methylcarbamic acid [6-acetylamino-4-chloro-1-azabicyclo[3.3.0]octan-7-yl] esterCarbamic acid, (hexahydro-2,4-methano-4H-furo[3,2-b]pyrrol-3-yl)methyl-, 1-(acetylamino)-7-chlorohexahydro-1H-pyrrolizin-2-yl ester (9CI)
Datenbank-Bezeichner
- CAS
60092-32-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 74,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 651
Physikochemische Eigenschaften
- Siedepunkt
- 594.3 · 594.3±50.0 °C(Predicted)
- Dichte
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 14.37 · 14.37±0.60(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungRussian workers have recently re-examined the alkaloidal extract of the seeds of Lotium cuneatum and shown that, in addition to a number of simple pyrrolizidine bases, it also contains this novel dimeric alkaloid. Lolidine is one of the few bases found in this plant which contains chlorine in the molecule. The base may be separated from the total alkaloids on a silica gel column from Et20 solution. Treatment with either Ac20 or AcCl fails to give the acetyl derivative confirming that the fourth oxygen atom is present in the form of an ether bridge.
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