Alangimarine

Base Information

• Chemical Name: Alangimarine
• CAS No.: 77156-16-2
• Molecular Formula: C₁₉H₁₆N₂O₃
• Molecular Weight: 320.348
• DSSTox Substance ID: DTXSID90331754
• Nikkaji Number: J866.416A
• Wikidata: Q27105713
• Metabolomics Workbench ID: 52945
• Mol file: 77156-16-2.mol

Synonyms:Alangimarine;77156-16-2;12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one;12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one;C09329;CHEBI:2537;DTXSID90331754;Q27105713;2-hydroxy-3-methoxy-12-vinyl-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one

Chemical Property of Alangimarine

Chemical Property:

• Vapor Pressure: 2.24E-16mmHg at 25°C
• Boiling Point: 628.2°C at 760 mmHg
• Flash Point: 333.7°C
• PSA: 64.35000
• Density: 1.39g/cm³
• LogP: 2.97680
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 320.11609238
• Heavy Atom Count: 24
• Complexity: 561

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3=O)C=NC=C4C=C)O

Technology Process of Alangimarine

There total 13 articles about Alangimarine 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: 86.0%

(+/-)-alangimaridine (109431-06-3) → 2-hydroxy-3-methoxy-12-vinyl-5,6-dihydro-8H-isoquino[2,1-b][2,7]naphthyridin-8-one (77156-16-2)

Guidance literature:

With iodine; In ethanol; at 100 ℃; for 6h;

Reference yield: 19.0%

(8S,10S,11R)-2-Hydroxy-3,8-dimethoxy-10-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-11-vinyl-5,8,10,11-tetrahydro-6H-9-oxa-6a-aza-benzo[a]anthracen-7-one → 2-hydroxy-3-methoxy-12-vinyl-5,6-dihydro-8H-isoquino[2,1-b][2,7]naphthyridin-8-one (77156-16-2)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.3987/COM-97-8069

Reference yield:

alangimaridine (77173-59-2) → 2-hydroxy-3-methoxy-12-vinyl-5,6-dihydro-8H-isoquino[2,1-b][2,7]naphthyridin-8-one (77156-16-2)

Guidance literature:

With iodine; In ethanol; for 2h; Heating;

DOI:10.1016/S0040-4039(00)92835-1

upstream raw materials:

alangimaridine

alamarine

(+/-)-alangimaridine

alangiside