HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 84579Generated: October 26, 2026
Potassium Carbonate → N-(2-chloro-4-(methylcarbamoyl)phenyl)-9-cyano-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
https://huagongshe.com/reaction/84579
Participants
| Role | Name | HCID | Charge |
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| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | Thionyl Chloride | HCID 24386 | — |
| Reactant | 9-Cyano-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acid | HCID 56834156 | — |
| Reactant | 3-chloro-N-methyl-4-methylamino-benzamide | HCID 57900207 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Toluene | HCID 1140 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | N-(2-chloro-4-(methylcarbamoyl)phenyl)-9-cyano-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide | HCID 57900333 | — |
Reaction Steps
To a solution of 9-cyano-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acid (300 mg) in toluene (10 mL) was added thionyl chloride (2 mL) and the reaction heated at 80° C. for 2 h. After cooling to room temperature, the solvent was reduced in vacuo and the residue redissolved in acetonitrile (10 mL). Potassium carbonate (306 mg) and 3-chloro-N-methyl-4-methylamino-benzamide from Example 21 (263 mg) were added and the reaction stirred at room temperature for 16 h. Water (20 mL) was added and the product extracted into ethyl acetate (2×20 mL). The organics were dried (MgSO4), reduced in vacuo and purified on silica to give 298. NMR: (CDCl3): 2.95-2.98 (5 H, m), 3.31 (3 H, s, Me), 4.19-4.21 (2 H, m), 6.10 (1 H, s, NH), 0.76 (1 H, s, Ar), 6.96 (1 H, d, J 8.4, Ar), 7.31-7.36 (2 H, m, Ar), 7.64-7.67 (2 H, m, Ar) and 7.87 (1 H, d, J 1.8, Ar). MS: (ESI+) MH+ 451.25
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08846762B2 |
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| Source dataset | uspto-grants-2014_09 |
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| ORD ID | ord-00a065994d064b18b852e1695c1b0062 |
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| Source note | uspto-grants-2014_09 |
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