(5R,8S,10R)-2-Chloro-6-methyl-8-(1H-imidazol-1-ylmethyl)ergoline

Base Information

Chemical Name:(5R,8S,10R)-2-Chloro-6-methyl-8-(1H-imidazol-1-ylmethyl)ergoline
CAS No.:162070-34-0
Molecular Formula:C₁₉H₂₁ClN₄
Molecular Weight:340.856
Hs Code.:
Mol file:162070-34-0.mol

Synonyms:(5R,8S,10R)-2-Chloro-6-methyl-8-(1H-imidazol-1-ylmethyl)ergoline;162070-34-0;2-Chloro-6-methyl-8-alpha-(1H-imidazol-1-ylmethyl)ergoline;Ergoline, 2-chloro-8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-alpha)-;(6aR,9S)-5-chloro-9-(imidazol-1-ylmethyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;C19-H21-Cl-N4;LS-64393

Suppliers and Price of (5R,8S,10R)-2-Chloro-6-methyl-8-(1H-imidazol-1-ylmethyl)ergoline

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

American Custom Chemicals Corporation
(5R,8S,10R)-2-CHLORO-6-METHYL-8-(1H-IMIDAZOL-1-YLMETHYL)ERGOLINE 95.00%
5MG
$ 502.90

Total 1 raw suppliers

Chemical Property of (5R,8S,10R)-2-Chloro-6-methyl-8-(1H-imidazol-1-ylmethyl)ergoline

Chemical Property:

Vapor Pressure:1.02E-13mmHg at 25°C
Boiling Point:586.1°Cat760mmHg
PKA:15.86±0.40(Predicted)
Flash Point:308.2°C
PSA：36.85000
Density:1.44g/cm³
LogP:3.61590
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:340.1454744
Heavy Atom Count:24
Complexity:474

Purity/Quality:: (5R,8S,10R)-2-CHLORO-6-METHYL-8-(1H-IMIDAZOL-1-YLMETHYL)ERGOLINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)Cl)CN5C=CN=C5
Isomeric SMILES:CN1C[C@H](CC2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CN5C=CN=C5

Technology Process of (5R,8S,10R)-2-Chloro-6-methyl-8-(1H-imidazol-1-ylmethyl)ergoline

There total 6 articles about (5R,8S,10R)-2-Chloro-6-methyl-8-(1H-imidazol-1-ylmethyl)ergoline 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: 46.0%

: 288-32-4
1H-imidazole

: 162070-44-2
Toluene-4-sulfonic acid (6aR,9S,10aR)-5-chloro-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-ylmethyl ester

: 162070-34-0
(6aR,9S,10aR)-5-Chloro-9-imidazol-1-ylmethyl-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline

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

Reference yield:

: 110883-13-1
methyl (5R,8R,10R)-2-chloro-6-methyl-8-ergolinecarboxylate

: 162070-34-0
(6aR,9R,10aR)-5-Chloro-9-imidazol-1-ylmethyl-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / LiAlH₄ / tetrahydrofuran / 0.5 h

2: 84 percent / pyridine / 3 h / Ambient temperature

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

With pyridine; lithium aluminium tetrahydride; sodium hydride; In tetrahydrofuran;
DOI:10.1248/cpb.42.1463

Reference yield:

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

: 162070-34-0
(6aR,9R,10aR)-5-Chloro-9-imidazol-1-ylmethyl-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline

Guidance literature:: Multi-step reaction with 5 steps

1: H₂SO₄

2: NCS / dioxane

3: 87 percent / LiAlH₄ / tetrahydrofuran / 0.5 h

4: 84 percent / pyridine / 3 h / Ambient temperature

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

With pyridine; N-chloro-succinimide; lithium aluminium tetrahydride; sulfuric acid; sodium hydride; In tetrahydrofuran; 1,4-dioxane;
DOI:10.1248/cpb.42.1463