HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 509019Generated: October 27, 2026
Tetrahydrofuran → HCID 136246097, compound
https://huagongshe.com/reaction/509019
Participants
| Role | Name | HCID | Charge |
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| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate | HCID 2733207 | — |
| Reactant | 3-Methoxy-2,2-dimethylpropanoic acid | HCID 3017506 | — |
| Reactant | 3-(5-(aminomethyl)-2-chlorophenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-5(4H)-one | HCID 136492371 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 136246097 | HCID 136246097 | 9.4% |
Reaction Steps
The title compound was prepared according to the procedure described in Example-107 by using 3-(5-(aminomethyl)-2-chlorophenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-5(4H)-one (Intermediate-63, 0.100 g, 0.271 mmol), THF:DMF (5 mL:1 mL), 3-methoxy-2,2-dimethylpropanoic acid (0.053 g, 0.407 mmol), TBTU (0.261 g, 0.813 mmol), TEA (2.0 mL). The obtained crude was purified by column chromatography using basic alumina as stationary phase and eluting with the solution of 2% ammonia in 10.0% MeOH:DCM to afford 0.012 g of the desired product. 1H NMR (300 MHz, DMSO d6): δ 1.05 (s, 6H), 3.30 (s, 2H), 4.30 (d, J=4.5 Hz, 1H), 4.36 (s, 1H), 7.53 (d, J=6.3 Hz, 1H), 7.75 (s, 1H), 8.08 (t, J=4.5 Hz, 1H), 8.21 (d, J=6.3 Hz, 2H); MS (m/z): 469.04 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09096545B2 |
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| Source dataset | uspto-grants-2015_08 |
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| ORD ID | ord-8b411566d581471ab96316abd37cf4a4 |
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| Source note | uspto-grants-2015_08 |
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