HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 70921Generated: October 26, 2026
4-(Trifluoromethoxy)benzoyl Chloride → N-[2-(5-Chloro-2H-benzotriazol-2-yl)-1-cyano-1-methylethyl]-4-trifluoromethoxybenzamide
https://huagongshe.com/reaction/70921
Participants
| Role | Name | HCID | Charge |
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| Reactant | 4-(Trifluoromethoxy)benzoyl Chloride | HCID 142110 | — |
| Reactant | 2-amino-3-(5-chloro-2H-benzotriazol-2-yl)-2-methylpropionitrile | HCID 66620045 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | N-[2-(5-Chloro-2H-benzotriazol-2-yl)-1-cyano-1-methylethyl]-4-trifluoromethoxybenzamide | HCID 25121566 | 55.6% |
Reaction Steps
4-trifluoromethoxybenzoyl chloride (0.34 g) was added to a solution of 2-amino-3-(5-chloro-2H-benzotriazol-2-yl)-2-methylpropionitrile (0.3 g) in dry DCM mixed with TEA (0.27 mL). The reaction mixture was stirred 48 hours at room temperature. Silica gel was added to the reaction mixture and solvent evaporated under reduced pressure. The resulting crude product loaded on silica gel was purified by chromatography (SiO2, heptane/EA) to afford the title compound as a white solid (0.3 g, 54%). Rf=0.7 (1:1 EA/heptane). MS (ES): M/Z [M+H]=424. 1H NMR: (400 MHz, DMSO-d6): 1.74 (s, 3H), 5.39-5.49 (m, 2H), 7.48 (dd, J=9.1, 1.9 Hz, 1H), 7.51 (br d, J=8.0 Hz, 2H), 7.93 (m, 2H), 8.01 (dd, J=9.1, 0.6 Hz, 1H), 8.13 (dd, J=1.9, 0.6 Hz, 1H) and 8.92 (s, 1H). 19F NMR (376 MHz, DMSO-d6): −57.09 (s, 3F).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08822689B2 |
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| Source dataset | uspto-grants-2014_09 |
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| ORD ID | ord-4404fd81c5b24bc08f4dda752e0d18de |
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| Source note | uspto-grants-2014_09 |
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