ISOTHEBAINE
- CAS NO.：568-21-8
- Empirical Formula: C19H21NO3
- Molecular Weight: 311.37
- MDL number: MFCD00076035
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-04 17:34:40
What is ISOTHEBAINE?
Description
forms colourless prisms from EtOH and has [α]18D + 285.1 ° (EtOH). It may be characterized as the sulphate, m.p. 120-1 °c (dec.) and also yields a diacetyl derivative, m.p. 80-5°C.
Definition
ChEBI: Isothebaine is an aporphine alkaloid. It derives from a hydride of an aporphine.
References
Klee., Arch. Pharrn., 252,211 (1914)
Callow, Gulland, Haworth., J. Chern. Soc., 1444 (1929)
Kiseler, Konovalova.,J. Gen. Chern., USSR, 18,142 (1948)
Battersby, Brown.J'roc. Chern. Soc., 85 (1964)
Synthesis:
Battersby, Brown, Clements., J. Chern. Soc., 4550 (1965)
Biosyn thesis:
Battersby et al., Chern. Cornrnun., 230 (1965)
Properties of ISOTHEBAINE
| Melting point: | 203-204° |
| Boiling point: | 451.42°C (rough estimate) |
| alpha | D18 +285° in alc |
| Density | 1.1699 (rough estimate) |
| refractive index | 1.5000 (estimate) |
| pka | 9.90±0.20(Predicted) |
Safety information for ISOTHEBAINE
Computed Descriptors for ISOTHEBAINE
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