HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1036779Generated: October 25, 2026
3-Amino-6-chloro-4-picoline → 4-[6-(6-Chloro-4-methyl-pyridin-3-ylamino)-5-methyl-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid Isopropyl Ester
https://huagongshe.com/reaction/1036779
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 3-Amino-6-chloro-4-picoline | HCID 2734425 | — |
| Reactant | 4-(6-Chloro-5-methyl-pyrimidin-4-yloxy)-piperidine-1-carboxylic acid isopropyl ester | HCID 11493357 | — |
| Reactant | Sodium t-butoxide | HCID 23676156 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Catalyst | Biphenyl-3-yl-di-tert-butyl-phosphane | HCID 67201513 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 4-[6-(6-Chloro-4-methyl-pyridin-3-ylamino)-5-methyl-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid Isopropyl Ester | HCID 11464274 | 29.1% |
Reaction Steps
A mixture of 4-(6-chloro-5-methyl-pyrimidin-4-yloxy)-piperidine-1-carboxylic acid isopropyl ester (1.80 g, 5.74 mmol), palladium acetate (155 mg, 0.69 mmol), biphenyl-3-yl-di-tert-butyl-phosphane (21.5 mg, 0.072 mmol), sodium tert-butoxide (1.38 g, 14.4 mmol), and 6-chloro-4-methyl-pyridin-3-ylamine (838 mg, 5.80 mmol) in 20 mL dioxane was heated in microwave for 1 hour at 120° C. Solids were filtered off and mixture was purified by column chromatography (hexane/AcOEt) to give Compound A98 as a tanned solid (702 mg, 29%). 1H NMR (CDCl3, 400 MHz) δ 1.24-1.26 (d, 6H), 1.72-1.81 (m, 2H), 1.95-2.02 (m, 2H), 2.10 (s, 3H), 2.27 (s, 3H), 3.37-3.43 (m, 2H), 3.74-3.77 (m, 2H), 4.90-4.97 (m, 1H), 5.29-5.34 (m, 1H), 5.91 (s, 1H), 7.00 (s, 1H), 8.22 (s, 1H), 8.57 (s, 1H). Exact mass calculated for C20H26ClN5O3 419.17, found 420.4 (MH+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08546429B2 |
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| Source dataset | uspto-grants-2013_10 |
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| ORD ID | ord-0727b16a84d64597bb1dd5b9c77dddfd |
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| Source note | uspto-grants-2013_10 |
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