HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2385829Generated: November 1, 2026
Pyridine → Methyl 3-(8-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoate
https://huagongshe.com/reaction/2385829
Participants
| Role | Name | HCID | Charge |
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| Reactant | Pyridine | HCID 1049 | — |
| Reactant | Methyl 3-Amino-4-chlorobenzoate | HCID 593055 | — |
| Reactant | 8-Bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxylic acid | HCID 57900163 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Thionyl Chloride | HCID 24386 | — |
| Product | Methyl 3-(8-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoate | HCID 56834370 | 87% |
Reaction Steps
A solution of 8-bromo-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acid (25 g, 0.077 mol) in 200 mL of SOCl2 was heated at 80° C. for 3 h. Concentration gave the crude acid chloride. A suspension of the crude acid chloride (ca. 0.077 mol) from above in 1000 mL of THF at 0° C. was treated with a solution of 3-amino-4-chloro-benzoic acid methyl ester (15.7 g, 1.1 eq)/pyridine (30 mL) in 100 mL of THF. The mixture was allowed to reach room temperature overnight. The reaction solution was concentrated to ½ volume, diluted with water. The resulting precipitate was filtered, washed with water and Et2O. The filter cake was dried to a constant weight under vacuum to give methyl 3-(8-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoate (32.9 g, yield 87%). LC-MS: (ESI, m/z)=494 [M+1]+
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08263633B2 |
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| Source dataset | uspto-grants-2012_09 |
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| ORD ID | ord-c25fddc1c3d645bfa3011ec425b662cf |
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| Source note | uspto-grants-2012_09 |
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