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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1624925Generated: October 31, 2026

Potassium Iodide → ethyl (10R,15S)-3-oxo-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate

https://huagongshe.com/reaction/1624925

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium IodideHCID 4875—
ReactantChloroacetamideHCID 6580—
ReactantN,N'-DimethylethylenediamineHCID 8070—
ReactantPotassium CarbonateHCID 11430—
Reactant2-chloro-N-methylacetamideHCID 66773—
ReactantDiisopropylethylamineHCID 81531—
Reactantethyl (4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido(4,3-b)indole-2-carboxylateHCID 59317960—
CatalystCopper iodideHCID 83717—
Solvent1,4-DioxaneHCID 31275—
Productethyl (10R,15S)-3-oxo-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylateHCID 20578971—

Reaction Conditions

Temperature103 °C

Reaction Steps

Alternative to Example 5 above, (6bR,10aS)-ethyl 3,6b,9,10,10a-hexahydro-3-methyl-2-oxo-1H-pyrido[3′,4′:4,5]-pyrrolo[1,2,3-de]quinoxaline-8-carboxylate may also be made in a one pot method starting from Compound of Formula 1D. A 2 liter 4 neck round bottom flask is equipped with a mechanical stirrer, reflux condenser, N2 inlet, teflon covered K-type temperature probe with a controller, and a heating mantle. To the flask is charged (4aS,9bR)-ethyl 6-bromo-3,4,4a,5-tetrahydro-1H-pyrido[4,3-b]indole-2(9bH)-carboxylate (250 g, 769 mmol), chloroacetamide (124 g, 1153 mmol, 1.5 equiv), potassium iodide (191.5 g, 1160 mmol, 1.5 equiv), diisopropyl ethylamine (266 mL, 1531 mmol, 2.0 equiv), and dioxane (625 mL). The reaction is heated to reflux temperature of about 103° C. until less than 3% of the starting substrate is observed by HPLC (about 48 hours). Additional charge of N-methyl chloroacetamide and diisopropyl ethylamine maybe necessary. The reaction is then cooled to ca. 80° C., and at this temperature copper iodide (29.2 g, 153.8 mmol, 0.2 equiv), potassium carbonate (232.5 g, 1682 mmol, 2.2 equiv), dimethylethylene diamine (49.6 mL, 461 mmol, 0.6 equiv), and additional dioxane (375 mL) is added. The reaction is then re-heated to reflux and is monitored by HPLC. Reflux occurs at ca. 103° C. The reaction is monitored by HPLC.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08779139B2
Source datasetuspto-grants-2014_07
ORD IDord-cca6c1525efd4aecbe2a2ac167653e4f
Source noteuspto-grants-2014_07