setoclavine

setoclavine structure

CAS No.: 519-12-0

Chemical Name:: setoclavine

Synonyms: setoclavine;9,10-Didehydro-6,8-dimethylergolin-8α-ol;Ergolin-8-ol, 9,10-didehydro-6,8-dimethyl-, (8α)-

CBNumber:: CB31387112

Molecular Formula:: C16H18N2O

Molecular Weight:: 254.33

MDL Number:

MOL File:: 519-12-0.mol

Last updated:2022-12-21 16:56:50

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setoclavine Properties

Melting point	216-222 °C (decomp)(Solv: ethyl ether (60-29-7))
Boiling point	473.6±45.0 °C(Predicted)
Density	1.30±0.1 g/cm3(Predicted)
pka	13.85±0.20(Predicted)
FDA UNII	UE9HT9P885

setoclavine Chemical Properties,Uses,Production

Description

An ergot alkaloid from the mycelia of Claviceps purpurea, the base yields colourless prisms when crystallized from Me₂CO or MeOH. It is dextrorotatory having [α]²⁰_D + 165° (c 0.3, EtOH) or + 174° (c 1.0, CHCI₃)' The ultraviolet spectrum in EtOH exhibits two absorption maxima at 243 and 313 mJ.1. The alkaloid forms crystalline salts with mineral acids, e.g. the hydrochloride, m.p. > 300°C and the nitrate, m.p. > 300°C;[α]²⁰_D + 190° (c 0.5,50% aqueous EtOH). The nitrogen atoms are present as an imino and a methylimino group.

References

Hofmann et al., Helv. Chim. Acta, 40, 1358 (1957)

setoclavine Preparation Products And Raw materials

Raw materials

Preparation Products

setoclavine 9,10-Didehydro-6,8-dimethylergolin-8α-ol Ergolin-8-ol, 9,10-didehydro-6,8-dimethyl-, (8α)- 519-12-0