6-Methylergoline

Base Information

• Chemical Name: 6-Methylergoline
• CAS No.: 109922-46-5
• Molecular Formula: C15H18 N2
• Molecular Weight: 226.321
• UNII: AE0MGL902M
• DSSTox Substance ID: DTXSID90331572
• Nikkaji Number: J2.765.061I
• Wikidata: Q27105584
• Metabolomics Workbench ID: 52890
• ChEMBL ID: CHEMBL177641
• Mol file: 109922-46-5.mol

Synonyms:6-Methylergoline;Ergoline, 6-methyl-;109922-46-5;UNII-AE0MGL902M;AE0MGL902M;CHEBI:2215;(-)-(5R,10R)-6-methylergoline;(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;C07540;CHEMBL177641;SCHEMBL6064951;DTXSID90331572;Q27105584

Chemical Property of 6-Methylergoline

Chemical Property:

• Vapor Pressure: 9.26E-07mmHg at 25°C
• Boiling Point: 404.7°Cat760mmHg
• Flash Point: 198.6°C
• Density: 1.166g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 226.146998583
• Heavy Atom Count: 17
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC2C1CC3=CNC4=CC=CC2=C34
• Isomeric SMILES: CN1CCC[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34

Technology Process of 6-Methylergoline

There total 4 articles about 6-Methylergoline 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: 57.0%

lisuride (18016-80-3,36307-98-9,107492-84-2,107596-79-2,140387-89-9) → 6-Methylergoline (109922-46-5) + 1,1-diethyl-3-(6-methyl-ergolin-8-yl)-urea (37686-86-5) + terguride (37686-84-3)

Guidance literature:

With ammonia; lithium; aniline; In tetrahydrofuran; at -70 ℃; for 1h;

DOI:10.1055/s-1986-31850

Reference yield:

butan-1-ol (71-36-3) → rac-6-methyl-ergoline (109922-46-5)

Guidance literature:

With sodium;

Reference yield:

rac-6-methyl-ergolin-8α-ylamine (1940-06-3,51898-44-3,59043-22-0) → rac-6-methyl-ergoline (109922-46-5)

Guidance literature:

With acetic acid; sodium nitrite; Hydrieren des Reaktionsgemisches an Palladium und Behandeln des Reaktionsprodukts mit methanol. KOH;

DOI:10.1002/hlca.19520350421

upstream raw materials:

rac-6-methyl-ergolin-8α-ylamine

butan-1-ol

rac-6-methyl-ergoline-8α-carboxylic acid hydrazide

lisuride

Refernces