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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1193140Generated: October 31, 2026

2-(Thiophen-2-yl)benzoic acid → (1R,6S)-(2-Fluoro-6-[1,2,3]triazol-2-yl-phenyl)-[8-(6-methyl-2-trifluoromethyl-pyrimidin-4-yl)-3,8-diaza-bicyclo[4.2.0]oct-3-yl]-methanone

https://huagongshe.com/reaction/1193140

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-(Thiophen-2-yl)benzoic acidHCID 5105623—
Reactant2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acidHCID 67086627—
Reactant(1R,6S)-8-(4,6-Dimethyl-pyrimidin-2-yl)-3,8-diaza-bicyclo[4.2.0]octaneHCID 68156939—
Reactant(1R,6S)-8-(6-Methyl-2-trifluoromethyl-pyrimidin-4-yl)-3,8-diaza-bicyclo[4.2.0]octaneHCID 68156957—
Product(1R,6S)-(2-Fluoro-6-[1,2,3]triazol-2-yl-phenyl)-[8-(6-methyl-2-trifluoromethyl-pyrimidin-4-yl)-3,8-diaza-bicyclo[4.2.0]oct-3-yl]-methanoneHCID 52918692—

Reaction Steps

The title compound was prepared in a manner analogous to Example 1, substituting (1R,6S)-[8-(6-methyl-2-trifluoromethyl-pyrimidin-4-yl)-3,8-diaza-bicyclo[4.2.0]octane (Intermediate 9) for (1R,6S)8-(4,6-dimethyl-pyrimidin-2-yl)-3,8-diaza-bicyclo[4.2.0]octane and 3-fluoro-6-[1,2,3]triazol-2-yl-benzoic acid (Intermediate 15) for 2-thiophen-2-yl-benzoic acid. Additionally, the reaction time was shortened to 30 minutes. MS (ESI) mass calcd. for C21H19F4N7O, 461.42; m/z found 462.1 [M+H]+. 1H NMR (400 MHz, CDCl3): 7.89-7.60 (m, 3H), 7.57-7.27 (m, 1H), 7.20-6.99 (m, 1H), 6.90-6.55 (m, 1H), 4.85 (5, br, 0.35H), 4.50-3.12 (m, 7H), 2.97-2.57 (m, 1.65H), 2.44-2.04 (m, 7H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08680275B2
Source datasetuspto-grants-2014_03
ORD IDord-a71c2fc3b3144c4493a15657c2b3d6b3
Source noteuspto-grants-2014_03