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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

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium CarbonateHCID 11430—
ReactantThionyl ChlorideHCID 24386—
Reactant9-Cyano-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acidHCID 56834156—
Reactant3-chloro-N-methyl-4-methylamino-benzamideHCID 57900207—
SolventWaterHCID 962—
SolventTolueneHCID 1140—
SolventAcetonitrileHCID 6342—
ProductN-(2-chloro-4-(methylcarbamoyl)phenyl)-9-cyano-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamideHCID 57900333—

Reaction Conditions

Temperature80 °C

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08846762B2
Source datasetuspto-grants-2014_09
ORD IDord-00a065994d064b18b852e1695c1b0062
Source noteuspto-grants-2014_09