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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1914566Generated: November 1, 2026

Iodine → 3-Iodo-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester

https://huagongshe.com/reaction/1914566

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIodineHCID 807—
ReactantIsoamyl NitriteHCID 8053—
ReactantSodium ThiosulfateHCID 24477—
Reactant1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylesterHCID 11321537—
SolventDichloromethaneHCID 6344—
Product3-Iodo-5-methyl-pyrazole-1-carboxylic acid tert-butyl esterHCID 5811031316.6%

Reaction Steps

Iodine (0.774 g, 3.0 mmol) was dissolved in DCM (5 mL) then isoamyl nitrite (0.682 mL, 5.1 mmol) was added followed by the slow addition of 3-amino-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester (0.50 g, 2.54 mmol) as a solution in DCM (4 mL). The reaction mixture was stirred at room temperature for 1.5 hours and then poured onto saturated sodium thiosulfate solution. The phases were separated and the aqueous layer was extracted with DCM (×3). The organics were washed with brine then dried over sodium sulfate, filtered and evaporated. The crude material was purified by chromatography on a silica II cartridge, eluting with 2-6% ethyl acetate in pentane to give 3-iodo-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester as a solid (0.13 g).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08614209B2
Source datasetuspto-grants-2013_12
ORD IDord-64d1b38d656849259190d83274b6a217
Source noteuspto-grants-2013_12