Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1773885Generated: November 1, 2026

Ammonia → 4-(1-methylpiperidin-4-yloxy)-2-(5-methylthiophen-2-yl)-9,10-dihydro-4H-3,10a-diaza-benzo[f]azulene

https://huagongshe.com/reaction/1773885

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAmmoniaHCID 222—
ReactantCesium fluorideHCID 25953—
Reactant1,4-DioxaneHCID 31275—
Reactant4,4,5,5-Tetramethyl-2-(4-methylthiophen-2-yl)-1,3,2-dioxaborolaneHCID 10443592—
Reactant2-iodo-4-(1-methyl piperidin-4-yloxy)-9,10-dihydro-4H-3,10a-diaza-benzo[f]azuleneHCID 72695778—
CatalystBis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
SolventWaterHCID 962—
Product4-(1-methylpiperidin-4-yloxy)-2-(5-methylthiophen-2-yl)-9,10-dihydro-4H-3,10a-diaza-benzo[f]azuleneHCID 72694472—

Reaction Conditions

Temperature100 °C

Reaction Steps

To a solution of 2-iodo-4-(1-methylpiperidin-4-yloxy)-9,10-dihydro-4H-3,10a-diaza-benzo[f]azulene (example 2A) (50 mg, 0.12 mmoles) in 1,4-dioxane (2.5 mL) in a screw-capped vial under argon are added 4-methylthiophene-2-boronic acid pinacol ester (40 mg, 0.18 mmole), PdCl2(dppf)2 (6.7 mg, 12 μmole), CsF (36 mg, 0.24 mmoles). The reaction mixture is heated at 100° C. overnight. As the reaction is not completed, CsF (18 mg, 0.12 mmole) and PdCl2(dppf)2 (6.7 mg, 12 μmole) are added and the reaction mixture is heated at 100° C. overnight. Water is added, pH is made alkaline by adding concentrated ammonia solution and the aqueous phase is extracted three times with CH2Cl2. The organic phase is dried over magnesium sulphate, filtered and the solvent is removed under reduced pressure. The residue is purified by silica gel chromatography using (CH2Cl2:MeOH:NH4OH) as eluent with a gradient from (98:2:0.2) to (96.5:3.5:0.35) followed by a purification on a preparative TLC over silica gel eluting with (9:1:0.1) to give 4-(1-methylpiperidin-4-yloxy)-2-(5-methylthiophen-2-yl)-9,10-dihydro-4H-3,10a-diaza-benzo[f]azulene.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09255101B2
Source datasetuspto-grants-2016_02
ORD IDord-b5154dcbfaa347c3887d36f464288975
Source noteuspto-grants-2016_02