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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1949900Generated: November 1, 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/1949900

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPyridineHCID 1049—
ReactantEthylamineHCID 6341—
Reactant2-((2-Chloro-4-(dimethylcarbamoyl)phenyl)(methyl) carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acidHCID 56834269—
SolventTetrahydrofuranHCID 8028—
SolventThionyl ChlorideHCID 24386—
ProductN2-(2-chloro-4-(dimethylcarbamoyl)phenyl)-N8-ethyl-N2-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamideHCID 5790023631%

Reaction Conditions

Temperature95 °C

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08399690B2
Source datasetuspto-grants-2013_03
ORD IDord-43f353c8ebd447379621f818ce9b53f5
Source noteuspto-grants-2013_03