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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1511294Generated: October 26, 2026

Nitroethane → Tert-butyl (6-(3-methylisoxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate

https://huagongshe.com/reaction/1511294

Reaction equation

Participants

RoleNameHCIDCharge
ReactantNitroethaneHCID 6587—
ReactantPhenyl isocyanateHCID 7672—
ReactantTriethylamineHCID 8471—
Reactanttert-Butyl (6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamateHCID 57691050—
SolventBenzeneHCID 241—
ProductTert-butyl (6-(3-methylisoxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamateHCID 57691036—

Reaction Conditions

Temperature50 °C

Reaction Steps

To a solution of nitroethane (1.02 ml, 14.3 mmol) in benzene (50 mL) was added phenyl isocyanate (3.12 ml, 28.5 mmol). The mixture was stirred at 50° C. for twenty minutes followed by the addition of tert-butyl (6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate (3.00 g, 11.0 mmol) and triethylamine (0.0765 ml, 0.549 mmol). The mixture was stirred at 50° C. for six hours then at room temperature overnight. The mixture was cooled to room temperature, filtered and the resulting brown precipitate was washed with additional benzene. The filtrate was concentrated to yield the product as a black solid. MS m/z=331.1 [M+1]+. Calc'd for C15H18N6O3: 330.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08212041B2
Source datasetuspto-grants-2012_07
ORD IDord-6ed879db147a432fab074661b128c4e9
Source noteuspto-grants-2012_07