HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 533809Generated: October 28, 2026
3-Bromothiophene → 1-Butyl-4-[hydroxy(di-3-thienyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide
https://huagongshe.com/reaction/533809
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 3-Bromothiophene | HCID 13383 | — |
| Reactant | Ethyl 1-azabicyclo(2.2.2)octane-4-carboxylate | HCID 573424 | — |
| Reactant | Butyllithium | HCID 178418339 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Solvent | Diethyl Ether | HCID 3283 | — |
| Solvent | Ether tetrahydrofuran | HCID 21868444 | — |
| Product | 1-Butyl-4-[hydroxy(di-3-thienyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide | HCID 68965449 | 9.4% |
Reaction Steps
A solution of n-Butyl lithium (2.5M in hexanes, 5.0 mL, 12.5 mmol) was chilled to −78° C. under Ar. 3-Bromothiophene (1.15 mL, 12.3 mmol) dissolved in ethyl ether (4.0 mL) was slowly added to the reaction mixture. The reaction was stirred for 30 min and then ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate (0.7640 g, 4.16 mmol) in THF/Et2O (4 mL/4 mL) was added. The reaction was allowed to warm up from −78° C. to room temperature over 16 h then slowly quenched with water. The reaction was concentrated and the resulting brown solid was taken up in water and DCM. The organic phase was separated, dried over MgSO4, filtered and concentrated under vacuum to give a brown solid. The solid was dissolved in DMSO and purified by preparatory HPLC to give the title compound (0.1736 g, 9.4%). EI-MS m/z 362(M+) Rt (1.73 min).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08853404B2 |
|---|
| Source dataset | uspto-grants-2014_10 |
|---|
| ORD ID | ord-d04e07a3a56f4fd3a224f349e3b9ca36 |
|---|
| Source note | uspto-grants-2014_10 |
|---|