HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 965134Generated: October 31, 2026
1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → (11S)-5-methyl-3-(10-oxo-1,9-diazatricyclo-[11.6.1.014,19]eicosa-13(20),14(19),15,17-tetraen-11-ylcarbamoyl)hexanoic acid t-butyl ester
https://huagongshe.com/reaction/965134
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide | HCID 15908 | — |
| Reactant | 1-Hydroxybenzotriazole | HCID 75771 | — |
| Reactant | 2-Isobutyl-succinic acid-4-t-butyl ester | HCID 9942712 | — |
| Reactant | 10-Oxo-1,9-diaza-tricyclo[11.6.1.014,19]eicosa-13(20),14(19),15,17-tetraene | HCID 131720740 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | (11S)-5-methyl-3-(10-oxo-1,9-diazatricyclo-[11.6.1.014,19]eicosa-13(20),14(19),15,17-tetraen-11-ylcarbamoyl)hexanoic acid t-butyl ester | HCID 67693565 | — |
Reaction Steps
To a stirred solution of (11S)-11-amino-(10-oxo-1,9-diazatricyclo[11.6.1.014,19 ]eicosa-13(20),14(19),15,17-tetraene (654 mg) and racemic 4-methyl-2-t-butoxycarbonylmethylpentanoic acid (800 mg) in 30 mL of anhydrous DMF under argon was added 1-hydroxybenzotriazole (360 mg), followed by EDCI (940 mg). The mixture was left to stir overnight and then the DMF was removed under reduced pressure. The residue was taken up in a mixture of CH2Cl2 (100 mL) and 1.5% cold HCl (100 mL) and transferred to a separatory funnel. The organic phase was isolated and washed consecutively with 1.5% HCl (100 mL), 5% NaHCO3 (100 mL) and brine (100 mL). The CH2Cl2 phase was dried (MgSO4), filtered and concentrated providing a semicrystalline product, (11S)-5-methyl-3-(10-oxo-1,9-diazatricyclo[11.6.1.014,19 ]eicosa-13(20),14(19),15,17-tetraen-11-ylcarbamoyl)hexanoic acid t-butyl ester. The two individual stereoisomers of this compound were separated by chromatography on silica gel with ethyl acetate/hexane as eluant. The less polar stereoisomer had a melting point of 154°-157° C., [α]D24 43.9°, c=23.8 mg/2 mL CHCl3, while the more polar stereoisomer had a melting point of 168°-171° C., [α]D24 =-19.1°, c=11.86 mg/2 mL CHCl3.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05773428 |
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| Source dataset | uspto-grants-1998_06 |
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| ORD ID | ord-9af374aab8324ab4a32e911869c04614 |
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| Source note | uspto-grants-1998_06 |
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