HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2281049Generated: October 30, 2026
HCID 86711982, compound → HCID 70978432, compound
https://huagongshe.com/reaction/2281049
Participants
| Role | Name | HCID | Charge |
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| Reactant | HCID 86711982 | HCID 86711982 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 70978432 | HCID 70978432 | — |
Reaction Steps
Ethyl N-carbamoyl-N-{4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)-1H-benzotriazol-5-yl]benzyl}glycinate was dissolved in a dichloromethane/1 N hydrochloric acid solution and the reaction mixture placed into an oil-bath preheated to 100° C. The mixture was stirred for 1.5 hours, cooled to ambient temperature, diluted with water and extracted with ethyl acetate (3×30 mL). The organic layers were combined, dried over sodium sulfate and concentrated in vacuo to afford the titled compound as a white solid. H1-NMR (400 MHz, CDCl3): δ 8.87 (1H, s), 7.70 (1H, d, J=8.6 Hz), 7.35 (1H, d, J=8.6 Hz), 7.30 (2H, d, J=8.3 Hz), 7.26 (2H, d, J=8.3 Hz), 4.55 (2H, s), 4.53 (2H, d, J=7.2 Hz), 3.80 (2H, s), 1.60-1.49 (1H, m), 0.69-0.57 (2H, m), 0.52-0.41 (2H, m) ppm; high resolution mass spectrometry (ES+) m/z 430.1509 [(M+H)+; calculated for C21H19F3N5O2: 430.1485].
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09139576B2 |
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| Source dataset | uspto-grants-2015_09 |
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| ORD ID | ord-0d20fcdd4b4f416bad7e6be5c5b47c43 |
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| Source note | uspto-grants-2015_09 |
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