N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-isopropyl-ergoline-beta-carboxamide

Base Information

Chemical Name:N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-isopropyl-ergoline-beta-carboxamide
CAS No.:81409-93-0
Molecular Formula:C₂₆H₃₉N₅O₂
Molecular Weight:453.628
Hs Code.:
DSSTox Substance ID:DTXSID301001973

Synonyms:BRN 6020752;N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-isopropyl-ergoline-beta-carboxamide;81409-93-0;Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(1-methylethyl)-, (8-beta)-;DTXSID301001973;LS-64369;N-[3-(Dimethylamino)propyl]-N'-ethyl-N-{[6-(propan-2-yl)ergolin-8-yl]carbonyl}carbamimidic acid

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Supply Marketing:

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

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Chemical Property of N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-isopropyl-ergoline-beta-carboxamide

Chemical Property:

Density:1.153g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:453.31037550
Heavy Atom Count:33
Complexity:698

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C(C)C
Isomeric SMILES:CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C(C)C

Technology Process of N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-isopropyl-ergoline-beta-carboxamide

There total 3 articles about N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-isopropyl-ergoline-beta-carboxamide 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: 78.0%

: 126554-46-9
N-<3-(dimethylamino)propyl>-6-isopropyl-ergoline-8β-carboxamide

: 109-90-0
ethyl isocyanate

: 81409-93-0
N-<3-(dimethylamino)propyl>-N-<(ethylamino)-carbonyl>-6-isopropyl-ergoline-8β-carboxamide

Guidance literature:: DOI:10.1016/0223-5234(89)90087-1

Reference yield:

: 109-55-7
1-amino-3-(dimethylamino)propane

: 81409-93-0
N-<3-(dimethylamino)propyl>-N-<(ethylamino)-carbonyl>-6-isopropyl-ergoline-8β-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / acetic acid / Heating

2: 78 percent

In acetic acid;
DOI:10.1016/0223-5234(89)90087-1

Reference yield:

: 57123-74-7
6-isopropyl-dihydrolysergic acid methyl ester

: 81409-93-0
N-<3-(dimethylamino)propyl>-N-<(ethylamino)-carbonyl>-6-isopropyl-ergoline-8β-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / acetic acid / Heating

2: 78 percent

In acetic acid;
DOI:10.1016/0223-5234(89)90087-1