6-Methyl-8-(1H-tetrazol-1-ylmethyl)ergoline (8-beta)-

Base Information

Chemical Name:6-Methyl-8-(1H-tetrazol-1-ylmethyl)ergoline (8-beta)-
CAS No.:105579-48-4
Molecular Formula:C₁₇H₂₀N₆
Molecular Weight:308.386
Hs Code.:
DSSTox Substance ID:DTXSID00909605
Mol file:105579-48-4.mol

Synonyms:6-Methyl-8-(1H-tetrazol-1-ylmethyl)ergoline (8-beta)-;Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-;105579-48-4;SCHEMBL10753200;DTXSID00909605;LS-64477;6-Methyl-8-[(1H-tetrazol-1-yl)methyl]ergoline

Suppliers and Price of 6-Methyl-8-(1H-tetrazol-1-ylmethyl)ergoline (8-beta)-

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
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Total 0 raw suppliers

Chemical Property of 6-Methyl-8-(1H-tetrazol-1-ylmethyl)ergoline (8-beta)-

Chemical Property:

Vapor Pressure:4.06E-12mmHg at 25°C
Boiling Point:549.3°C at 760 mmHg
Flash Point:286°C
Density:1.51g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:308.17494466
Heavy Atom Count:23
Complexity:445

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CN5C=NN=N5
Isomeric SMILES:CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NN=N5

Technology Process of 6-Methyl-8-(1H-tetrazol-1-ylmethyl)ergoline (8-beta)-

There total 6 articles about 6-Methyl-8-(1H-tetrazol-1-ylmethyl)ergoline (8-beta)- 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: 27.0%

: 288-94-8
2H-tetrazole

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

: (5R,8S,10R)-6-methyl-8-(2-tetrazolylmethyl)ergoline

: 105579-48-4
(5R,8S,10R)-6-methyl-8-(1-tetrazolylmethyl)ergoline

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

Reference yield:

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

: 105579-48-4
1-(6-Methylergolin-8β-ylmethyl)tetrazole

Guidance literature:: With 1H-tetrazole; In N-methyl-acetamide;

Reference yield:

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

: 105579-48-4
1-(6-Methylergolin-8β-ylmethyl)tetrazole

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