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
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Iodine | HCID 807 | — |
| Reactant | Isoamyl Nitrite | HCID 8053 | — |
| Reactant | Sodium Thiosulfate | HCID 24477 | — |
| Reactant | 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester | HCID 11321537 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | 3-Iodo-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester | HCID 58110313 | 16.6% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08614209B2 |
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| Source dataset | uspto-grants-2013_12 |
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| ORD ID | ord-64d1b38d656849259190d83274b6a217 |
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| Source note | uspto-grants-2013_12 |
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