8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline

Base Information

Chemical Name:8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline
CAS No.:115178-28-4
Molecular Formula:C₁₉H₂₂N₄
Molecular Weight:306.41
Hs Code.:
UNII:U53D24730V
Wikidata:Q27290700
Mol file:115178-28-4.mol

Synonyms:BAM-2101;UNII-U53D24730V;U53D24730V;8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline;(5R,8S,10R)-8-(1-Imidazolylmethyl)-6-methylergoline;115178-28-4;Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-alpha)-;SCHEMBL10615119;Q27290700;ERGOLINE, 8-(1H-IMIDAZOL-1-YLMETHYL)-6-METHYL-, (8.ALPHA.)-

Suppliers and Price of 8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline

Chemical Property:

Vapor Pressure:1.31E-12mmHg at 25°C
Boiling Point:560.8°Cat760mmHg
Flash Point:293°C
Density:1.35g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:306.18444672
Heavy Atom Count:23
Complexity:441

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CN5C=CN=C5
Isomeric SMILES:CN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=CN=C5

Technology Process of 8-alpha-(1H-Imidazol-1-ylmethyl)-6-methylergoline

There total 5 articles about 8-alpha-(1H-Imidazol-1-ylmethyl)-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: 58.0%

: 288-32-4
1H-imidazole

: 96737-35-8
6-methyl-8α-(toluene-4-sulfonyloxymethyl)-ergoline

: 105579-43-9,115178-28-4
(5R,8S,10R)-6-methyl-8-(1-imidazolylmethyl)ergoline

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 90 ℃; for 2h;
DOI:10.1248/cpb.42.2042

Reference yield:

: 288-32-4
1H-imidazole

: 58752-31-1
6-methyl-8β-tosyloxymethyl-ergoline

: 105579-43-9,115178-28-4
1-(6-Methylergolin-8β-ylmethyl)imidazole

Guidance literature:: With sodium hydride; Yield given. Multistep reaction; 1.) DMF, 2.) DMF, 90 deg C, 2 h;
DOI:10.1248/cpb.42.1463

Reference yield:

: 5878-43-3
9,10-dihydrolysergic acid

: 105579-43-9,115178-28-4
1-(6-Methylergolin-8β-ylmethyl)imidazole

Guidance literature:: Multi-step reaction with 4 steps

1: H₂SO₄

2: 82 percent / aq. NaBH₄ / methanol / 2 h / Heating

3: 80 percent / pyridine / 3 h / Ambient temperature

4: 1.) NaH / 1.) DMF, 2.) DMF, 90 deg C, 2 h

With pyridine; sodium tetrahydroborate; sulfuric acid; sodium hydride; In methanol;
DOI:10.1248/cpb.42.1463