(5β,12S,19β)-2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester

CAS No.
62861-08-9
Chemical Name:
(5β,12S,19β)-2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester
Synonyms
Iboxyphylline;2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester;(5β,12S,19β)-2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester;Indolo[2,3-i]pyrrolo[3,2,1-jk][1]benzazepine-6-carboxylic acid, 1,2,3,4,4a,5,7,12,13,14a-decahydro-3-hydroxy-2-methyl-, methyl ester, (2R,3S,4aS,11bS,14aR)- (9CI)
CBNumber:
CB42224873
Molecular Formula:
C21H26N2O3
Molecular Weight:
354.44
MDL Number:
MOL File:
62861-08-9.mol

(5β,12S,19β)-2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester Properties

Melting point 245°C
Boiling point 533.4±50.0 °C(Predicted)
Density 1.31±0.1 g/cm3(Predicted)
pka 14.82±0.60(Predicted)

(5β,12S,19β)-2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester Chemical Properties,Uses,Production

Description

The leaves of Tabernanthe iboga and T. subsessilis yield this alkaloid which occurs with ibophyllidine (q.v.). When crystallized from Me2CO it yields colourless monoclinic crystals. The base has a specific rotation of [α]D + 444° (c 1.0, CHCl3) and gives an ultraviolet spectrum in EtOH with absorption maxima at 227, 295 and 328 nm. Iboxyphylline has been characterized as the O-acetate with m.p. 167°C and a specific rotation of [α]D + 466° (c 1.0, CHCI3). The structure given above has been confirmed by X-ray crystallography. The crystals are monoclinic with space group P2 1 and a = 9.7642, b = 12.4493 and c = 8.1182 A with Z = 2.

References

Khuong-Huu et al., Tetrahedron, 32, 2539 (1976)

(5β,12S,19β)-2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

(5β,12S,19β)-2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester 2,3-Didehydro-7β-hydroxy-8β-methyl-8a-homo-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester Iboxyphylline Indolo[2,3-i]pyrrolo[3,2,1-jk][1]benzazepine-6-carboxylic acid, 1,2,3,4,4a,5,7,12,13,14a-decahydro-3-hydroxy-2-methyl-, methyl ester, (2R,3S,4aS,11bS,14aR)- (9CI) 62861-08-9