HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1500447Generated: October 31, 2026
Ethyl (2R,4S)-4-([1,1'-biphenyl]-4-ylmethyl)-2-methyl-4-(2,5-dioxopyrrolidin-1-yl)butanoate → Sacubitril Impurity 3
https://huagongshe.com/reaction/1500447
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethyl (2R,4S)-4-([1,1'-biphenyl]-4-ylmethyl)-2-methyl-4-(2,5-dioxopyrrolidin-1-yl)butanoate | HCID 66739220 | — |
| Reactant | HCID 66739279 | HCID 66739279 | — |
| Solvent | Isopropyl Acetate | HCID 7915 | — |
| Product | Sacubitril Impurity 3 | HCID 59318451 | — |
| Product | HCID 68714094 | HCID 68714094 | — |
Reaction Steps
To a mixture of (2S,4S)-4-amino-5-biphenyl-4-yl-2-methylpentanoic acid ethyl ester hydrochloride (3-b, R1=R2=H, R3=Et) [9:1 diastereoisomer mixture [(2S,4S):(2R,4S)]] (840 mg) in isopropyl acetate (10 ml) triethylamine (418 mg) is added. The mixture is then stirred at 55° C. for 1 h and then filtered. The filtrate is heated at reflux for 24 hours. To the mixture is added saturated ammonium chloride solution and the phases are separated. The organic layer is concentrated to dryness. The residue is purified by chromatography, eluting first with IPA/Heptane 2:1 then with a mixture 1:1 to afford (3S,5S)-5-biphenyl-4-ylmethyl-3-methylpyrrolidin-2-one (2-b, R1=H) and (3R,5S)-5-biphenyl-4-ylmethyl-3-methylpyrrolidin-2-one (2-a, R1=H). Ratio of diastereoisomers determined by 1H NMR to be 9:1 [(3S,5S):(3R,5S)]. 1H NMR (CDCl3) for (2-b, R1=H): 1.15 (3H), 1.38 (1H), 2.42 (2H), 2.63 (1H), 2.82 (1H), 3.75 (1H), 5.51 (1H), 7.17 (2H), 7.28 (1H), 7.37 (2H), 7.49 (4H). Spectroscopic data for (2-a, R1=H) as in Example 6.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09206116B2 |
|---|
| Source dataset | uspto-grants-2015_12 |
|---|
| ORD ID | ord-b56fec75b34648b5970666d736f199bb |
|---|
| Source note | uspto-grants-2015_12 |
|---|