8-(6,8-Dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one

Base Information

Chemical Name:8-(6,8-Dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one
CAS No.:7237-40-3
Molecular Formula:Br*C₂₂H₂₂OP
Molecular Weight:413.294
Hs Code.:
DSSTox Substance ID:DTXSID20413572

8-(6,8-Dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one

Synonyms:7237-40-3;8-(6,8-dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one;DTXSID20413572

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Chemical Property of 8-(6,8-Dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one

Chemical Property:

Vapor Pressure:2.21E-18mmHg at 25°C
XLogP3:2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:462.32194850
Heavy Atom Count:33
Complexity:816

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCC2C(C3CCC(C(=O)C3(C[NH+]2C1)O)C4CC(=O)C5CC(CC(C5(C4C)C)O)O)C

Technology Process of 8-(6,8-Dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-one

There total 1 articles about 8-(6,8-Dihydroxy-1,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)-6a-hydroxy-3,11-dimethyl-1,2,3,4,5,6,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-5-ium-7-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: 75.0%

: 603-35-0
triphenylphosphine

: 814-75-5
3-bromo-butanone

: 7237-40-3
(1-methyl-2-oxopropyl)triphenylphosphonium bromide

Guidance literature:: In toluene; at 70 ℃; for 40h; Inert atmosphere;
DOI:10.1021/acs.orglett.8b04129

Reference yield:

: 7237-40-3
(1-methyl-2-oxopropyl)triphenylphosphonium bromide

: (3-Hydroxy-2-butyl)-triphenyl-phosphonium

Guidance literature:: With sodium tetrahydroborate;
DOI:10.1016/S0022-328X(00)88730-6

Reference yield:

: 7237-40-3
(1-methyl-2-oxopropyl)triphenylphosphonium bromide

: 7237-44-7
(1-Methyl-1-propenyl)-triphenyl-phosphonium Bromid

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄

2: aq. HBr / Heating

With sodium tetrahydroborate; hydrogen bromide;
DOI:10.1016/S0022-328X(00)88730-6