Ankorine

Base Information

Chemical Name:Ankorine
CAS No.:13849-54-2
Molecular Formula:C19H29NO4
Molecular Weight:335.4379
Hs Code.:
DSSTox Substance ID:DTXSID30331758
Nikkaji Number:J15.452K
Wikidata:Q27105795
Metabolomics Workbench ID:69168
ChEMBL ID:CHEMBL4568442
Mol file:13849-54-2.mol

Synonyms:Ankorine;13849-54-2;C09337;(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-ol;AC1L9CDB;(-)-ankorine;SureCN3133048;CHEBI:2740;SCHEMBL3133048;CHEMBL4568442;DTXSID30331758;Q27105795;(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-8-ol

Suppliers and Price of Ankorine

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 3 raw suppliers

Chemical Property of Ankorine

Chemical Property:

Vapor Pressure:8.04E-10mmHg at 25°C
Boiling Point:474.8°C at 760 mmHg
Flash Point:240.9°C
PSA：62.16000
Density:1.2g/cm³
LogP:2.67500
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:335.20965841
Heavy Atom Count:24
Complexity:407

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1CN2CCC3=C(C(=C(C=C3C2CC1CCO)OC)OC)O
Isomeric SMILES:CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CCO)OC)OC)O
Description The structure of this alkaloid has recently been revised to that given above in which the hydroxyl group is placed at C-1. The stereochemistry has also been determined by Japanese workers.

Technology Process of Ankorine

There total 9 articles about Ankorine 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: 99.0%

: 73136-36-4
(2R,3R,11bS)-(-)-8-(Benzyloxy)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo quinolizine-2-ethanol

: 13849-54-2
ankorine

Guidance literature:: With palladium on activated charcoal; hydrogen; In ethanol; at 20 ℃; for 1h;
DOI:10.1021/jo01298a025

Reference yield: 98.0%

: 56774-73-3,73136-36-4,109009-04-3
(+/-)-8-benzyloxy-3α-ethyl-1,3,4,6,7,11bα-hexahydro-9,10-dimethoxy-2H-benzo quinolizine-2β-ethanol

: 13849-54-2,56816-22-9,60562-79-0,109527-29-9
(+/-)-ankorine

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 0.583333h; under 760 Torr;
DOI:10.1016/0040-4020(80)80049-4

Reference yield:

: 73136-35-3
trans-8-benzyloxy-2-ethoxycarbonylmethyl-3-ethyl-1,2,3,4,6,7-hexahydro-9,10-dimethoxybenzo quinolizinium chloride

: 13849-54-2,56816-22-9,60562-79-0,109527-29-9
(+/-)-ankorine

Guidance literature:: Multi-step reaction with 3 steps

1: 51 percent / Adams-catalyst / ethanol / 2 h / 20 °C / 760 Torr

2: 1.) LiAlH₄; 2.) 10percent aq. NaOH / 1.) ether, 1 atm, 30 min; 2.) reflux, water, 4 h

3: 98 percent / H₂ / 10percent Pd/C / ethanol / 0.58 h / 20 °C / 760 Torr

With sodium hydroxide; lithium aluminium tetrahydride; hydrogen; platinum(IV) oxide; palladium on activated charcoal; In ethanol;
DOI:10.1016/0040-4020(80)80049-4