1H-Imidazole-4-carboxylic acid, 5-methyl-1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester

Base Information

Chemical Name:1H-Imidazole-4-carboxylic acid, 5-methyl-1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester
CAS No.:105579-57-5
Molecular Formula:C₂₃H₂₈N₄O₂
Molecular Weight:392.501
Hs Code.:
DSSTox Substance ID:DTXSID90909614
Mol file:105579-57-5.mol

Synonyms:105579-57-5;1H-Imidazole-4-carboxylic acid, 5-methyl-1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester;SCHEMBL10756008;DTXSID90909614;LS-78247;Ethyl 5-methyl-1-[(6-methylergolin-8-yl)methyl]-1H-imidazole-4-carboxylate

Suppliers and Price of 1H-Imidazole-4-carboxylic acid, 5-methyl-1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 1H-Imidazole-4-carboxylic acid, 5-methyl-1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester

Chemical Property:

Vapor Pressure:3.07E-15mmHg at 25°C
Boiling Point:618.8°Cat760mmHg
Flash Point:328°C
Density:1.34g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:392.22122615
Heavy Atom Count:29
Complexity:616

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(N(C=N1)CC2CC3C(CC4=CNC5=CC=CC3=C45)N(C2)C)C
Isomeric SMILES:CCOC(=O)C1=C(N(C=N1)C[C@@H]2CC3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C)C

Technology Process of 1H-Imidazole-4-carboxylic acid, 5-methyl-1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester

There total 5 articles about 1H-Imidazole-4-carboxylic acid, 5-methyl-1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester 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:

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

: 105579-57-5
ethyl 5-methyl-1-(6-methylergolin-8β-ylmethyl)-4-imidazolecarboxylate

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

Reference yield:

: 3006-19-7,5143-94-2,35470-53-2,77842-02-5,87247-99-2,96648-31-6,96648-32-7
9,10-dihydrolysergic acid methyl ester

: 105579-57-5
ethyl 5-methyl-1-(6-methylergolin-8β-ylmethyl)-4-imidazolecarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / aq. NaBH₄ / methanol / 2 h / Heating

2: 80 percent / pyridine / 3 h / Ambient temperature

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

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

Reference yield:

: 18051-16-6,1349-51-5
9,10-dihydrolysergol

: 105579-57-5
ethyl 5-methyl-1-(6-methylergolin-8β-ylmethyl)-4-imidazolecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / pyridine / 3 h / Ambient temperature

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

With pyridine; sodium hydride;
DOI:10.1248/cpb.42.1463