(12bS)-3,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-2(1H)-one

Base Information

• Chemical Name: (12bS)-3,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-2(1H)-one
• CAS No.: 65378-13-4
• Molecular Formula: C15H16N2O
• DSSTox Substance ID: DTXSID10501114
• Nikkaji Number: J432.968F
• Wikidata: Q82353258

Synonyms:65378-13-4;DTXSID10501114;(12bS)-3,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-2(1H)-one

Chemical Property of (12bS)-3,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-2(1H)-one

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 240.126263138
• Heavy Atom Count: 18
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN2CCC3=C(C2CC1=O)NC4=CC=CC=C34
• Isomeric SMILES: C1CN2CCC3=C([C@@H]2CC1=O)NC4=CC=CC=C34

Technology Process of (12bS)-3,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-2(1H)-one

There total 37 articles about (12bS)-3,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-2(1H)-one 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: 98.0%

2-(2-hydroxyethoxy)-1,4,6,7,12,12b-hexahydroindolo<2,3-a>quinolizine → 3,4,6,7,12,12b-Hexahydro-1H-indolo[2,3-a]quinolizin-2-one (55854-97-2,65378-13-4,1217-82-9,146609-56-5)

Guidance literature:

With hydrogenchloride; In methanol; for 1h; Heating;

DOI:10.1080/00397919209409259

Reference yield: 96.0%

trans-2,2-(ethylenedioxy)-1,2,3,4,6,7,12,12b-octahydroindolo<2,3-a>quinolizidine (130179-28-1) → 3,4,6,7,12,12b-Hexahydro-1H-indolo[2,3-a]quinolizin-2-one (55854-97-2,65378-13-4,1217-82-9,146609-56-5)

Guidance literature:

With hydrogenchloride; In methanol; for 2h; Heating;

DOI:10.1080/00397919209409259

Reference yield: 90.0%

2,3-dihydro-1-<2-(1H-indol-3-yl)ethyl>-4(1H)-pyridinone (92579-46-9) → 3,4,6,7,12,12b-Hexahydro-1H-indolo[2,3-a]quinolizin-2-one (55854-97-2,65378-13-4,1217-82-9,146609-56-5)

Guidance literature:

With sulfuric acid; In ethanol; at 20 ℃; for 4h;

DOI:10.1021/jo00008a025

upstream raw materials:

3,4-dihydro-β-carboline

2-trimethylsilyloxy-1,3-butadiene

methyl vinyl ketone

trans-2,2-(ethylenedioxy)-1,2,3,4,6,7,12,12b-octahydroindolo<2,3-a>quinolizidine

Downstream raw materials:

indoloquinolizidine

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