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2552-47-8

2552-47-8 Structure

2552-47-8 Structure
IdentificationBack Directory
[Name]

6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4- dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihyd ro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H -isoquinolin-7-ol
[CAS]

2552-47-8
[Synonyms]

Pilocereine
1-isobutyl-8-[[1-isobutyl-8-[(1-isobutyl-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4- dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihyd ro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H -isoquinolin-7-ol
7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]-
[Molecular Formula]

C45H65N3O6
[MDL Number]

MFCD00197584
[MOL File]

2552-47-8.mol
[Molecular Weight]

744.01
Chemical PropertiesBack Directory
[Melting point ]

176.5-177°
[Boiling point ]

699.1±55.0 °C(Predicted)
[density ]

1.082±0.06 g/cm3(Predicted)
[pka]

9.22±0.40(Predicted)
Hazard InformationBack Directory
[Description]

A constituent of the cactus Lophocereus Schottii, this alkaloid yields colourless crystals from AcOEt. The structure is that of a trimeric isoquinoline. A dihydro_x0002_chloride is obtained as the dihydrate, m.p. 228- 232°C (dec.); the diperchlorate has m.p. 214-7°C; the oxalate forms a crystalline dihydrate, m.p. 158-163°C (dec.) on rapid heating and m.p. 198- 200°C (dec.) on slow heating. The O-acetate has m.p. 186°C and the methyl ether exists in two forms as crystals from AcOEt, m.p. 133-5°C and crystals from hexane which melt at 92-105°C and again at I 53-5°C after intermediate solidification. The structure has been determined by chemical degradation and spectroscopic analysis.
[Definition]

ChEBI: Pilocereine is an aromatic ether.
[References]

Djerassi, Frick, Geller., J. Amer. Chern. Soc., 75,3632 (1953)
Djerassi et aI., ibid, 79, 2203 (1957)
Djerassi et al., ibid, 84, 3210 (1962)
Bobbitt, Eberman, Schubert., Tetrahedron Lett., 575 (1963)
Franck, Blasche., ibid, 569 (1963)
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