HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2R,5R)-2,5-Dibenzyl-6-oxo-6-((S)-2-oxo-1-o-tolylazepan-3-ylamino)hexanoic acid → (2R,5R)-2,5-Dibenzyl-N1-((S)-2-oxo-1-o-tolylazepan-3-yl)-N6-((4S,8S,10aS)-5-oxo-8-(trifluoromethyl)octahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | (2R,5R)-2,5-Dibenzyl-6-oxo-6-((S)-2-oxo-1-o-tolylazepan-3-ylamino)hexanoic acid | HCID 68292933 | — |
| Reactant | (4S,8S,10aS)-4-amino-8-(trifluoromethyl)hexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one | HCID 86706221 | — |
| Product | (2R,5R)-2,5-Dibenzyl-N1-((S)-2-oxo-1-o-tolylazepan-3-yl)-N6-((4S,8S,10aS)-5-oxo-8-(trifluoromethyl)octahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamide | HCID 86706260 | — |
Reaction Steps
(2R,5R)-2,5-Dibenzyl-N1-((S)-2-oxo-1-o-tolylazepan-3-yl)-N6-((4S,8S,10aS)-5-oxo-8-(trifluoromethyl)octahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamide was synthesized as described in General Procedure H using Intermediate 71 (8.2 mg, 0.016 mmol) and Intermediate 60 (3.5 mg, 0.013 mmol) to give a white solid (5.9 mg, 58% yield). Anal. Calcd. for C43H51F3N4O4S m/z 776.7. found: 777.6 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.42-6.89 (m, 14H), 5.86 (s, 2H), 5.11 (dd, J=14.2, 7.0 Hz, 1H), 4.81 (dd, J=10.6, 6.6 Hz, 2H), 4.38-4.26 (m, 1H), 4.09-3.86 (m, 2H), 3.54 (d, J=16.2 Hz, 1H), 3.40-3.09 (m, 3H), 2.91-2.38 (m, 7H), 2.21 and 2.14 (s, 3H), 2.28-2.07 (m, 1H), 2.07-1.77 (m, 5H), 1.75-1.22 (m, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09346852B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-e9a8f80c4b9e45839c645bce807fcef5 |
| Source note | uspto-grants-2016_05 |