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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2425835Generated: October 31, 2026

1-Iodooctane → 1-Octylpyridin-1-ium iodide

https://huagongshe.com/reaction/2425835

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-IodooctaneHCID 12380—
ReactantHCID 136335798HCID 136335798—
SolventDichloromethaneHCID 6344—
Product1-Octylpyridin-1-ium iodideHCID 22245259—

Reaction Conditions

Temperature80 °C

Reaction Steps

To a stirring solution of 13 (0.150 mg, 0.34 mmol) in dry CH2Cl2 (5 mL) was added dropwise 1-iodooctane (0.6 mL, 0.792 g, 3.3 mmol) at room temperature. The reaction mixture was then stirred at 80° C. under N2 for 1 day. After cooling to room temperature, the mixture was next concentrated in vacuo and washed with hexane (20 mL) to give the corresponding n-octyl-pyridinium iodide salt 14 as an analytically pure yellow solid (0.211 g, 95.4%). To a suspension of 12 (0.136 g, 0.2 mmol) in dry methanol (1 mL) was added dropwise a solution of sodium methoxide in methanol (0.5 mL, 0.5 M) at room temperature. A clear reddish solution was obtained from which an orange precipitate immediately formed. The precipitate was collected by filtration and washed with dry methanol to give analytically pure product (0.096 g, 86.8%) as a brown solid: mp>280° C.; 1H NMR (400 MHz, CD3OD): δ 8.816 (s, 2H), 7.395 (s, 2H), 7.317 (s, 2H), 7.160 (d, 1H, J=16.4 Hz), 6.841 (d, 1H, J=16.0 Hz), 4.547 (t, 2H, J=8.0 Hz), 2.146 (s, 6H), 2.065 (m, 2H), 1.912 (s, 6H), 1.450 (s, 18H), 1.307 (m, 10H), 0.895 (s, 3H); 13C NMR (100 MHz, CD3OD): δ 159.608, 154.285, 142.183, 139.217, 138.198, 136.351, 133.757, 131.838, 130.964, 128.398, 126.424, 124.704, 123.758, 61.530, 34.624, 32.031, 31.931, 30.493, 29.292, 26.399, 22.850, 20.057, 17.463, 14.352; HRMS (EI): m/z 553.4263 [M+]; calcd, 553.4284; Anal. Calcd. for C39H55NO.2H2O: C, 79.41; H, 10.08; N, 2.37. Found; C, 79.71; H, 9.63; N, 2.14.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07968016B2
Source datasetuspto-grants-2011_06
ORD IDord-c4def80ef7df4441ba228a7ca1b76bf2
Source noteuspto-grants-2011_06