HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 472141Generated: October 27, 2026
methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride → methyl (S)-3-tert-butoxycarbonylamino-2-[4-(4-trifluoromethylbenzyl)piperazin-1-yl]propanoate
https://huagongshe.com/reaction/472141
Participants
| Role | Name | HCID | Charge |
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| Reactant | methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride | HCID 18334328 | — |
| Reactant | Bis(2-chloroethyl)(4-trifluoromethylbenzyl)amine | HCID 66870563 | — |
| Solvent | Diisopropylethylamine | HCID 81531 | — |
| Product | methyl (S)-3-tert-butoxycarbonylamino-2-[4-(4-trifluoromethylbenzyl)piperazin-1-yl]propanoate | HCID 86675026 | 55% |
Reaction Steps
A solution of 4.2 g (16.5 mmol) of methyl (S)-2-amino-3-tert-butoxycarbonylaminopropanoate hydrochloride and 4.95 g (16.5 mmol) of bis(2-chloroethyl)(4-trifluoromethylbenzyl)amine in 25 ml of N,N-diisopropylethylamine is heated at 127° C. for 6 h. After evaporation of a maximum amount of diisopropylethylamine, the reaction medium is diluted with ethyl acetate and washed with an aqueous solution of sodium hydroxide having a concentration of 1N. The organic phase obtained is washed with water, dried over magnesium sulfate, filtered and concentrated under vacuum. The crude residue is purified by chromatography on silica gel, elution being carried out with a 60/40 heptane/ethyl acetate mixture. 4.0 g (55%) of methyl (S)-3-tert-butoxycarbonylamino-2-[4-(4-trifluoromethylbenzyl)piperazin-1-yl]propanoate are obtained in the form of an oil.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08633196B2 |
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| Source dataset | uspto-grants-2014_01 |
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| ORD ID | ord-e8039efc7f844f39ab20553010ea497b |
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| Source note | uspto-grants-2014_01 |
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