(8beta)-9,10-Didehydro-6-methylergoline-8-carboxylic acid

Base Information Edit

Chemical Name:(8beta)-9,10-Didehydro-6-methylergoline-8-carboxylic acid
CAS No.:82-58-6
Molecular Formula:C16H16N2O2
Molecular Weight:268.315
Hs Code.:29396300
European Community (EC) Number:201-431-9
UNII:ITO20DAO7J
DSSTox Substance ID:DTXSID60904515
Nikkaji Number:J4.614K
Wikipedia:Lysergic_acid
Wikidata:Q415837
Pharos Ligand ID:6MPF5LL29UFL
Mol file:82-58-6.mol

(8beta)-9,10-Didehydro-6-methylergoline-8-carboxylic acid

Synonyms:Acid, Lysergic;Lysergic Acid

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Chemical Property of (8beta)-9,10-Didehydro-6-methylergoline-8-carboxylic acid Edit

Chemical Property:

Appearance/Colour:beige to brown powder
Vapor Pressure:2.51E-12mmHg at 25°C
Melting Point:>170°C (dec.)
Refractive Index:1.725
Boiling Point:536.2 °C at 760 mmHg
PKA:3.44, 7.68(at 25℃)
Flash Point:278.1 °C
PSA：56.33000
Density:1.39 g/cm³
LogP:2.06010
Storage Temp.:Controlled Substance, -20°C Freezer
Water Solubility.:267mg/L at 20℃
XLogP3:0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:268.121177757
Heavy Atom Count:20
Complexity:461

Purity/Quality:

Safty Information:

Pictogram(s): R40:Possible risks of irreversible effects.;
Hazard Codes: Xn:Harmful;
Statements: R40:Possible risks of irreversible effects.;
Safety Statements: S13:Keep away from food, drink and animal feeding stuffs.; S22:Do not inhale dust.; S23:Do not inhale gas/fumes/va

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O
Isomeric SMILES:CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)O
Description A precursor of the semisynthetic ergot derivatives, but having no biological activity itself. It is subject to controls under the Controlled Substances Act of 1970 in the United States, since it is the immediate precursor for the synthesis of LSD. Lysergic acid is obtained by hydrolysis of ergot alkaloids, either obtained from grains infected with Claviceps or, more commonly, by fermentation in submerged culture.
Uses Labelled Lysergic acid. Lysergic acid and iso-lysergic acid are the main cleavage products formed on alkaline hydrolysis of the alkaloids which are characteristic of ergot. Potent hallucinogen; non-selective serotonin receptor agonist. Controlled substanc Lysergic acid and iso-lysergic acid are the main cleavage products formed on alkaline hydrolysis of the alkaloids which are characteristic of ergot. Potent hallucinogen; non-selective serotonin receptor agonist. Controlled substance.

Technology Process of (8beta)-9,10-Didehydro-6-methylergoline-8-carboxylic acid

There total 45 articles about (8beta)-9,10-Didehydro-6-methylergoline-8-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.4%