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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1256983Generated: October 26, 2026

4-(Trifluoromethyl)benzenecarbothioyl chloride → N-[2-(5-bromo-4-fluoro-7-methyl-2H-benzotriazol-2-yl)-1-cyano-1-methylethyl]-4-trifluoromethylthiobenzamide

https://huagongshe.com/reaction/1256983

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-(Trifluoromethyl)benzenecarbothioyl chlorideHCID 19862484—
Reactant2-amino-3-(5-bromo-4-fluoro-7-methyl-2H-benzotriazol-2-yl)-2-methylpropionitrileHCID 66620468—
ProductN-[2-(5-bromo-4-fluoro-7-methyl-2H-benzotriazol-2-yl)-1-cyano-1-methylethyl]-4-trifluoromethylthiobenzamideHCID 86625567—

Reaction Steps

Using a procedure similar to that described in Example 1, except using 2-amino-3-(5-bromo-4-fluoro-7-methyl-2H-benzotriazol-2-yl)-2-methylpropionitrile (120 mg, described in Example 50) and 4-trifluoromethylthiobenzoyl chloride (0.09 mL), the title compound was isolated as a white solid (175 mg, 88%). Rf=0.65 (1:1 EA/heptane). MS (ES): M/Z [M+H]=516. NMR: (400 MHz, DMSO-d6): 1.75 (s, 3H), 2.41 (s, 3H), 5.41 (d, J=13.3 Hz, 1H), 5.56 (d, J=13.3 Hz, 1H), 7.45 (dd, J=5.9, 1.1 Hz, 1H), 7.85-7.90 (m, 4H), 8.90 (s, 1H). 19F NMR (376 MHz, DMSO-d6): −122.4 (d, J=5.3 Hz, 1F), −42.0 (s, 3F).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08461176B2
Source datasetuspto-grants-2013_06
ORD IDord-144bcca8c8df47d98c2164527d4bf235
Source noteuspto-grants-2013_06