HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 384553Generated: October 25, 2026
Citric Acid → 3-{[(alpha-Isobutanoyloxyethoxy)carbonyl]aminomethyl]-5-Methylhexanoic Acid
https://huagongshe.com/reaction/384553
Participants
| Role | Name | HCID | Charge |
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| Reactant | Citric Acid | HCID 311 | — |
| Reactant | Chlorotrimethylsilane | HCID 6397 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Pregabalin | HCID 5486971 | — |
| Reactant | HCID 66753307 | HCID 66753307 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | 3-{[(alpha-Isobutanoyloxyethoxy)carbonyl]aminomethyl]-5-Methylhexanoic Acid | HCID 16059234 | 48% |
Reaction Steps
To a stirred suspension of pregabalin (2) (150 mg, 0.94 mmol) in anhydrous dichloromethane (10 mL) at 0° C. was added triethylamine (0.26 mL, 1.88 mmol) and trimethylchlorosilane (0.24 mL, 1.88 mmol). After stirring for 15 min at 0° C., a solution of α-isobutanoyloxyethyl-p-nitrophenyl carbonate (111) (267 mg, 0.94 mmol) in dichloromethane (3 mL) was added. The resulting mixture was stirred at room temperature for 1.5 h. The reaction mixture was acidified with citric acid and extracted with dichloromethane. The combined organic extracts were washed with brine and dried over Na2SO4. After filtration and evaporation, the crude product was purified by silica gel chromatography, eluting first with dichloromethane to remove nitrophenol, then with 30% ethyl acetate in dichloromethane to afford 130 mg (48%) of the title compound as a mixture of two diastereomers. 1H-NMR (CDCl3, 400 MHz): δ 0.90 (m, 6H), 1.70 (m, 8H), 1.46 (d, J=5.6 Hz, 3H), 1.66 (1H, m), 2.15 (m, 1H), 2.33 (m, 2H), 2.53 (m, 1H), 3.12 (m, 1H), 3.29 (m, 1H), 5.08 (t, J=6.0 Hz, 1H), 6.79 (m, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08367722B2 |
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| Source dataset | uspto-grants-2013_02 |
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| ORD ID | ord-a889676cb49e412cba9ab6a090bcc92a |
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| Source note | uspto-grants-2013_02 |
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