(2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde

Base Information

Chemical Name:(2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde
CAS No.:136573-96-1
Molecular Formula:C₁₈H₂₀N₂O
Molecular Weight:280.37
Hs Code.:
DSSTox Substance ID:DTXSID80424922
Nikkaji Number:J582.591A
Wikidata:Q82237682
Mol file:136573-96-1.mol

Synonyms:136573-96-1;(2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde;AC1O6NR4;SCHEMBL15331194;DTXSID80424922;JBKVPQNVVZLHBE-PXAZEXFGSA-N;18-Norcorynan-19-al,20,21-didehydro-,(15a)-(9ci);Benzenebutanoic acid, 2-bromo-.alpha.,.gamma.-dioxo-, ethyl ester

Suppliers and Price of (2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde

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 6 raw suppliers

Chemical Property of (2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde

Chemical Property:

PSA：36.10000
LogP:3.51770
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:280.157563266
Heavy Atom Count:21
Complexity:447

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1CC2C3=C(CCN2C=C1C=O)C4=CC=CC=C4N3
Isomeric SMILES:CC[C@@H]1C[C@H]2C3=C(CCN2C=C1C=O)C4=CC=CC=C4N3

Technology Process of (2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde

There total 12 articles about (2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde 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:

: 133634-31-8
3-(1,3-Dimethyl-4(S),5(S)-diphenylimidazolidin-2-yl)pyridine

: 136573-96-1
(2R,12bS)-2-Ethyl-1,2,6,7,12,12b-hexahydro-indolo[2,3-a]quinolizine-3-carbaldehyde

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / 1 h / 110 °C

2: tetrahydrofuran / 1 h / -70 °C

3: 1.) trifluoroacetic anhydride, 2.) 15percent aq. NaOH / 1.) CH₂Cl₂, r.t., 4 h, 2.) MeOH, r.t., 6 h

4: HCl / methanol / Ambient temperature

With hydrogenchloride; sodium hydroxide; trifluoroacetic anhydride; In tetrahydrofuran; methanol;
DOI:10.1021/jo00086a045

Reference yield:

: 136573-95-0
4-Ethyl-1-<2-(1(H)-indol-3-yl)-ethyl>-3-(1,3-dimethyl-4,5-diphenylimidazolidin-2-yl)-1,4-dihydropyridine

: 136573-96-1
(2R,12bS)-2-Ethyl-1,2,6,7,12,12b-hexahydro-indolo[2,3-a]quinolizine-3-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) trifluoroacetic anhydride, 2.) 15percent aq. NaOH / 1.) CH₂Cl₂, r.t., 4 h, 2.) MeOH, r.t., 6 h

2: HCl / methanol / Ambient temperature

With hydrogenchloride; sodium hydroxide; trifluoroacetic anhydride; In methanol;
DOI:10.1021/jo00086a045

Reference yield:

: 500-22-1
3-pyridinecarboxaldehyde

: 136573-96-1
(2R,12bS)-2-Ethyl-1,2,6,7,12,12b-hexahydro-indolo[2,3-a]quinolizine-3-carbaldehyde

Guidance literature:: Multi-step reaction with 5 steps

1: 95 percent / molecular sieves 4 Angstroem / diethyl ether / 0.33 h / Ambient temperature

2: 95 percent / 1 h / 110 °C

3: tetrahydrofuran / 1 h / -70 °C

4: 1.) trifluoroacetic anhydride, 2.) 15percent aq. NaOH / 1.) CH₂Cl₂, r.t., 4 h, 2.) MeOH, r.t., 6 h

5: HCl / methanol / Ambient temperature

With hydrogenchloride; sodium hydroxide; 4 A molecular sieve; trifluoroacetic anhydride; In tetrahydrofuran; methanol; diethyl ether;
DOI:10.1021/jo00086a045