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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 415719Generated: October 26, 2026

4-(Trifluoromethyl)benzenecarbothioyl chloride → N-[1-Cyano-2-(5-cyano-2H-benzotriazol-2-yl)-1-methylethyl]-4-trifluoromethylthiobenzamide

https://huagongshe.com/reaction/415719

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-(Trifluoromethyl)benzenecarbothioyl chlorideHCID 19862484—
Reactant2-amino-3-(5-cyano-2H-benzotriazol-2-yl)-2-methylpropionitrileHCID 66620208—
ProductN-[1-Cyano-2-(5-cyano-2H-benzotriazol-2-yl)-1-methylethyl]-4-trifluoromethylthiobenzamideHCID 86625551—

Reaction Steps

Using a procedure similar to that described in Example 1, except using 2-amino-3-(5-cyano-2H-benzotriazol-2-yl)-2-methylpropionitrile, described in Example 21, and 4-trifluoromethylthiobenzoyl chloride, the title compound was isolated as a white solid (0.46 g, 81%). Rf=0.45 (1:1 EA/heptane). MS (ES): M/Z [M+H]=431. 1H NMR: (400 MHz, DMSO-d6): 1.76 (s, 3H), 5.46-5.59 (m, 2H), 7.76 (dd, J=8.9, 1.3 Hz, 1H), 7.84-7.93 (m, 4H), 8.18 (d, J=8.9 Hz, 1H), 8.78 (br s, 1H) and 9.01 (br s, 1H). 19F NMR (376 MHz, DMSO-d6): −41.93 (s, 3F).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08088801B2
Source datasetuspto-grants-2012_01
ORD IDord-32ca4280e2af4be2b3dc260042613a44
Source noteuspto-grants-2012_01