Alangicine

Base Information

• Chemical Name: Alangicine
• CAS No.: 16531-04-7
• Molecular Formula: C₂₈H₃₆N₂O₅
• Molecular Weight: 480.604
• DSSTox Substance ID: DTXSID40420086
• Nikkaji Number: J38.517D
• Wikidata: Q27105711,Q105105810
• Metabolomics Workbench ID: 52943
• Mol file: 16531-04-7.mol

Synonyms:Alangicine;16531-04-7;(2R,3R,11bS)-3-ethyl-2-(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-ylmethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-8-ol;C09327;CHEBI:2535;DTXSID40420086;Q27105711;7',10,11-trimethoxy-1',2'-didehydroemetan-6',9-diol

Chemical Property of Alangicine

Chemical Property:

• Boiling Point: 675.3°Cat760mmHg
• Flash Point: 362.2°C
• PSA: 80.26000
• Density: 1.26g/cm³
• LogP: 4.29830
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 480.26242225
• Heavy Atom Count: 35
• Complexity: 749

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4=NCCC5=CC(=C(C=C54)OC)O)OC)OC)O
• Isomeric SMILES: CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CC4=NCCC5=CC(=C(C=C54)OC)O)OC)OC)O

Technology Process of Alangicine

There total 11 articles about Alangicine 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: 74.0%

(+/-)-8-benzyloxy-2β-(6-benzyloxy-3,4-dihydro-7-methoxy-1-isoquinolyl)methyl-3α-ethyl-1,3,4,6,7,11bα-hexahydro-9,10-dimethoxy-2H-benzoquinolizine (61194-43-2) → (+/-)-2β-(3,4-dihydro-6-hydroxy-7-methoxy-1-isoquinolyl)methyl-3α-ethyl-1,3,4,6,7,11bα-hexahydro-8-hydroxy-9,10-dimethoxy-2H-benzoquinolizine<(+/-)-alangicine> (16531-04-7,61194-44-3)

Guidance literature:

With hydrogenchloride; In ethanol; for 15h; Heating;

Reference yield: 67.0%

(2R,3R,11bS)-(-)-8-benzyloxy-N-(3-benzyloxy-4-methoxyphenethyl)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzoquinolizine-2-acetamide (61194-42-1,65942-19-0) → (2R,3R,11bS)-(+)-2-(3,4-dihydro-6-hydroxy-7-methoxy-1-isoquinolyl)methyl-3-ethyl-1,3,4,6,7,11b-hexahydro-8-hydroxy-9,10-dimethoxy-2H-benzoquinolizine (alangicine) (16531-04-7)

Guidance literature:

With PPE; In chloroform; for 3h; Heating;

Reference yield: 3.0%

(+/-)-8-benzyloxy-2β-(6-benzyloxy-3,4-dihydro-7-methoxy-1-isoquinolyl)methyl-3α-ethyl-1,3,4,6,7,11bα-hexahydro-9,10-dimethoxy-2H-benzoquinolizine (61194-43-2) → (+/-)-2β-(3,4-dihydro-6-hydroxy-7-methoxy-1-isoquinolyl)methyl-3α-ethyl-1,3,4,6,7,11bα-hexahydro-8-hydroxy-9,10-dimethoxy-2H-benzoquinolizine<(+/-)-alangicine> (16531-04-7,61194-44-3) + (+/-)-8-benzyloxy-2β-(3,4-dihydro-6-hydroxy-7-methoxy-1-isoquinolyl)methyl-3α-ethyl-1,3,4,6,7,11bα-hexahydro-9,10-dimethoxy-2H-benzoquinolizine (88909-02-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 19 - 30 ℃; for 2h;

upstream raw materials:

(2R,3R,11bS)-(-)-8-benzyloxy-N-(3-benzyloxy-4-methoxyphenethyl)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzoquinolizine-2-acetamide

3-benzyloxy-4-methoxyphenylethylamine

(2R,3R,11bS)-(-)-8-(Benzyloxy)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzoquinolizine-2-acetic Acid Ethyl Ester

(2R,3R,11bS)-(-)-8-benzyloxy-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzoquinolizine-2-acetic acid

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