HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 926110Generated: October 31, 2026
m-Chloroperbenzoic acid → (8R,9S,13S,14S,17R)-4-Fluoro-17-hydroxy-13-methyl-17-[(1-oxidopyridin-1-ium-4-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-carbonitrile
https://huagongshe.com/reaction/926110
Participants
| Role | Name | HCID | Charge |
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| Reactant | m-Chloroperbenzoic acid | HCID 70297 | — |
| Reactant | HCID 102489434 | HCID 102489434 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | (8R,9S,13S,14S,17R)-4-Fluoro-17-hydroxy-13-methyl-17-[(1-oxidopyridin-1-ium-4-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-carbonitrile | HCID 25015772 | 75% |
Reaction Steps
To a solution of EM-5855 (86 mg, 0.22 mmol) in anhydrous dichloromethane (5 mL) at 0° C. was added 3-chloroperoxybenzoic acid (54 mg, 0.22 mmol). The mixture was stirred for 16 h at 22° C. and evaporated to dryness. The crude compound was purified by flash chromatography (silica gel, 0-10% methanol in chloroform) to give 67 mg (75%) of EM-5854. 1H NMR (400 MHz, CDCl3) δ: 0.94 (s, 3H, Me), 2.57 (d, Jgem=13.5 Hz, 1H, —CH2-Pyr), 2.68 (m, 1H, H-6), 2.93 (d, Jgem=13.3 Hz, 2H, —CH2-Pyr, H-6), 7.17 (d, J=8.3 Hz, 1H, Ar), 7.27 (d, J=6.0 Hz, 2H, Pyr), 7.36 (t, J=7.7 Hz., 1H, Ar), 8.01 (d, J=6.8 Hz, 2H, Pyr).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09284345B2 |
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| Source dataset | uspto-grants-2016_03 |
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| ORD ID | ord-2cb81b313d1b40ff9bd3f012c69e389d |
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| Source note | uspto-grants-2016_03 |
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