HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2079005Generated: October 29, 2026
Pyridine → N2-(2-chloro-4-(dimethylcarbamoyl)phenyl)-N8-ethyl-N2-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide
https://huagongshe.com/reaction/2079005
Participants
| Role | Name | HCID | Charge |
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| Reactant | Pyridine | HCID 1049 | — |
| Reactant | Ethylamine | HCID 6341 | — |
| Reactant | 2-((2-Chloro-4-(dimethylcarbamoyl)phenyl)(methyl) carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid | HCID 56834269 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Thionyl Chloride | HCID 24386 | — |
| Product | N2-(2-chloro-4-(dimethylcarbamoyl)phenyl)-N8-ethyl-N2-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide | HCID 57900236 | 31% |
Reaction Steps
2-((2-Chloro-4-(dimethylcarbamoyl)phenyl)(methyl)carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid (0.15 g, 0.31 mmol) was dissolved in SOCl2 (10 mL). The solution was heated at 90-100° C. for 3 hours. Removal of the rest SOCl2 gave the crude product. A solution of the crude acid chloride in THF (12 mL) was treated with a solution of ethanamine (0.14 g, 3.1 mmol) and Pyridine (0.3 mL) in THF (8 mL) at 0° C. The reaction mixture was allowed to reach room temperature and stirred overnight. Concentrated to remove THF to afford the crude product, it was purified by preparative TLC to obtain 347 (48.5 mg, 31%). ESI-MS: 512. 1H NMR (CDCl3, 400 MHz): δ7.59 (s, 1H, ArH), 7.44-7.32 (m, 5H, ArH), 6.95 (s, 1H, ═CH), 6.12 (s, 1H, NH), 4.23 (t, J=5.0 Hz, 2H, CH2), 3.51-3.44 (m, 2H, CH2), 3.39 (s, 3H, CH3), 3.13 (s, 3H, CH3), 3.05 (t, J=5.0 Hz, 2H, CH2), 3.02 (s, 3H, CH3), 1.24 (t, J=7.2 Hz, 3H, CH3).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07928248B2 |
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| Source dataset | uspto-grants-2011_04 |
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| ORD ID | ord-99a72da68b3146ce94b3db431f93a68d |
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| Source note | uspto-grants-2011_04 |
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