Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 564241Generated: October 30, 2026

Acetonitrile → HCID 178457566, compound

https://huagongshe.com/reaction/564241

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantMethanesulfonic AcidHCID 6395—
ReactantSodium HydroxideHCID 14798—
Reactant4-(3-Chloropropyl)morpholinium chlorideHCID 12296283—
ReactantHCID 178516047HCID 178516047—
CatalystTetrabutylammonium hydrogen sulfateHCID 94433—
SolventDiethyl EtherHCID 3283—
ProductHCID 178457566HCID 178457566—

Reaction Steps

Step 1. To a solution of morpholine (1.0 g, 11.47 mmol) and 1-chloro-3-iodopropane (2.35 g, 11.5 mmol) in dry THF (30 ml) was added activated zinc powder (0.75 g, 11.47 mmol). After the mixture was stirred at rt overnight, it was filtered, washed with EtOAc (20 ml), and concentrated. The residue was dissolved in EtOAc (50 ml), washed with 10% aq. NaHCO3 (10 ml), water (2×10 ml), dried over MgSO4, and concentrated. The residue was dissolved in ether (20 ml) before a 1 M ethereal HCl solution (11.5 ml, 11.5 mmol) was added dropwise at 0° C. The resulting precipitate was filtered, washed with ether (2×10 ml), and dried to afford 4-(3-chloropropyl)morpholine hydrochloride (0.70 g, 31%) as a colorless solid. 1H NMR (500 MHz, DMSO-d6) δ 2.17-2.28 (m, 2H), 3.01-3.09 (m, 2H), 3.15-3.19 (m, 2H), 3.39-3.42 (m, 2H), 3.76 (t, J=6.4 Hz, 2H), 3.81-3.86 (m, 2H), 3.92-3.96 (m, 2H), 11.46 (brs, 1H). Step 2. To a solution of OZ288 (0.50 g, 1.40 mmol) in dry acetonitrile (50 ml) were added powdered NaOH (0.225 g, 5.61 mmol) and tetrabutylammonium hydrogensulfate (0.1 g, 0.28 mmol). After the reaction mixture was stirred at rt for 30 min, 4-(3-chloropropyl)morpholine hydrochloride (0.25 g, 1.26 mmol) was added. The mixture was stirred at 60° C. overnight before the inorganic solid was filtered off and washed with EtOAc (2×25 ml). After removal of the solvents in vacuo, the residue was dissolved in EtOAc (50 ml). The organic layer was washed with water, brine, dried over MgSO4, and concentrated. After the residue was dissolved in EtOAc (20 ml), a solution of methanesulfonic acid (0.14 g, 1.40 mmol) in ether (10 ml) was added dropwise at 0° C. The resulting precipitate was filtered, washed with ether (25 ml), and dried in vacuo at 40° C. to afford trioxolane OZ461 (0.475 g, 58%) as a colorless solid. mp 158-160° C.; 1H NMR (500 MHz, CDCl3) δ 1.61-2.07 (m, 22H), 2.32-2.40 (m, 2H), 2.44-2.55 (m, 1H), 2.79 (s, 3H), 2.88-2.98 (m, 2H), 3.22-3.31 (m, 2H), 3.57 (d, J=12.2 Hz, 2H), 3.97-4.18 (m, 6H), 6.79 (d, J=8.8 Hz, 2H), 7.11 (d, J=8.8 Hz, 2H), 11.39 (brs, 1H); 13C NMR (125.7 MHz, CDCl3) δ 23.63, 26.41, 26.80, 31.54, 34.63, 34.73, 36.34, 36.72, 39.37, 41.93, 52.23, 55.81, 63.69, 64.51, 108.29, 111.32, 114.20, 127.71, 139.10, 156.40. Anal. Calcd for C30H45NO8S: C, 62.15; H, 7.82; N, 2.42. Found: C, 62.05; H, 7.63; N, 2.51.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08067620B2
Source datasetuspto-grants-2011_11
ORD IDord-6436f229c35a4e08af732ce1ec7b992c
Source noteuspto-grants-2011_11