HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529619Generated: October 30, 2026
(S)-3-Amino-1-o-tolylazepan-2-one trifluoroacetate → (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((S)-2-oxo-1-o-tolylazepan-3-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
https://huagongshe.com/reaction/529619
Participants
| Role | Name | HCID | Charge |
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| Reactant | (S)-3-Amino-1-o-tolylazepan-2-one trifluoroacetate | HCID 68292217 | — |
| Reactant | (2R,5R)-2,5-Dibenzyl-6-((4S,7S,10aS)-7-(methoxycarbonyl)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylamino)-6-oxohexanoic acid | HCID 68311179 | — |
| Product | (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((S)-2-oxo-1-o-tolylazepan-3-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 68311238 | — |
Reaction Steps
(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((S)-2-oxo-1-o-tolylazepan-3-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate was synthesized as described in General Procedure H using Intermediate 23 (45 mg, 0.080 mmol) and Intermediate 69 (27 mg, 0.080 mmol) to give a white solid (35 mg, 57% yield). Anal. Calcd. for C44H54N4O6S m/z 766.7. found: 767.4 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.38-6.86 (m, 14H), 5.38-5.23 (m, 1H), 5.19-5.07 (m, 1H), 5.04-4.90 (m, 1H), 4.82-4.66 (m, 1H), 4.14 (s, 3H), 4.04-3.83 (m, 1H), 3.68 (s, 3H), 3.59-3.46 (m, 1H), 3.31 (dd, J=15.0, 4.9 Hz, 1H), 3.10 (dd, J=24.7, 11.2 Hz, 1H), 2.95-2.63 (m, 4H), 2.53-2.26 (m, 3H), 2.19 and 2.13 (2s, 3H), 2.07-1.92 (m, 3H), 1.91-1.42 (m, 12H), 1.44-1.27 (m, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09346852B2 |
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| Source dataset | uspto-grants-2016_05 |
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| ORD ID | ord-8f82d7ab66c34c46801d5010a51ba622 |
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| Source note | uspto-grants-2016_05 |
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