Lysergine

Base Information

• Chemical Name: Lysergine
• CAS No.: 519-10-8
• Molecular Formula: C16H18N2
• Molecular Weight: 238.3275
• UNII: RR1JX77V7F
• ChEMBL ID: CHEMBL291097
• Nikkaji Number: J3.633.863F
• Wikidata: Q27896545

Synonyms:Lysergine;Lysergin;D-Lysergine;519-10-8;RR1JX77V7F;Ergoline, 9,10-didehydro-6,8-dimethyl-, (8beta)-;UNII-RR1JX77V7F;CHEMBL291097;Ergoline, 9,10-didehydro-6,8beta-dimethyl-;9,10-Didehydro-6,8-dimethylergoline (8beta)-;LYSERGINE, D-;BDBM50227485;AKOS040752819;Q27896545;(8.BETA.)-9,10-DIDEHYDRO-6,8-DIMETHYLERGOLINE;ERGOLINE, 9,10-DIDEHYDRO-6,8-DIMETHYL-, (8.BETA.)-;(6aR,9R)-7,9-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline

Chemical Property of Lysergine

Chemical Property:

• Vapor Pressure: 2.31E-07mmHg at 25°C
• Melting Point: 275 °C (decomp)
• Boiling Point: 423°Cat760mmHg
• PKA: 17.46±0.40(Predicted)
• Flash Point: 209.6°C
• PSA: 19.03000
• Density: 1.2g/cm³
• LogP: 2.99540
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 238.146998583
• Heavy Atom Count: 18
• Complexity: 375

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
• Isomeric SMILES: C[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

Technology Process of Lysergine

There total 5 articles about Lysergine 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: 90.0%

(3β)-2,3-Dihydroisolysergine (99499-56-6,114249-74-0,114249-75-1) → (+/-)-Isolysergine (478-90-0,519-10-8,82359-58-8,99499-57-7)

Guidance literature:

With indole; benzeneseleninic anhydride; In tetrahydrofuran; at 40 ℃; for 2h;

DOI:10.1016/S0040-4039(00)98987-1

Reference yield:

→ 6,8-dimethyl-9,10-didehydro-ergoline (519-10-8)

Guidance literature:

With potassium hydroxide;

DOI:10.1002/hlca.19580410708

Reference yield:

Lysergen (478-91-1) → isolysergine (478-90-0) + 6,8-dimethyl-9,10-didehydro-ergoline (519-10-8)

Guidance literature:

With ethanol; palladium; acetic acid; Hydrogenation;

DOI:10.1002/hlca.19580410708

upstream raw materials:

Lysergen

(3β)-2,3-Dihydroisolysergine

Downstream raw materials:

(3β)-2,3-dihydrolysergine

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