HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 541279Generated: November 1, 2026
4-(Piperidin-4-yl)benzonitrile--hydrogen chloride (1/1) → 4-(1-(4-Cyclobutyl-5-(5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-2-methylbenzoyl)-4-fluoropiperidin-4-yl)benzonitrile
https://huagongshe.com/reaction/541279
Participants
| Role | Name | HCID | Charge |
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| Reactant | 4-(Piperidin-4-yl)benzonitrile--hydrogen chloride (1/1) | HCID 19391618 | — |
| Reactant | 4-(4-Fluoropiperidin-4-yl)benzonitrile hydrochloride | HCID 68288855 | — |
| Reactant | HCID 178494838 | HCID 178494838 | — |
| Product | 4-(1-(4-Cyclobutyl-5-(5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-2-methylbenzoyl)-4-fluoropiperidin-4-yl)benzonitrile | HCID 178494841 | — |
Reaction Steps
The title compound was prepared using standard chemical manipulations and procedures similar to those used for the preparation of 4-(1-(4-cyclobutyl-5-(5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-2-methylbenzoyl)piperidin-4-yl)benzonitrile (compound 153), using 4-(4-fluoropiperidin-4-yl)benzonitrile hydrochloride salt (compound 11.2 HCl salt) instead of 4-(piperidin-4-yl)benzonitrile hydrochloride salt (compound 1.5). m/z (ES+) 501.8 (M+H)+. 1H NMR (400 MHz, CDCl3): δ 11.46 (br s, 1H), 7.75-7.45 (m, 3H), 7.49 (d, J=8.4 Hz, 2H), 7.32 (s, 1H), 4.89 (br d, J=13.2 Hz, 1H), 4.28-4.15 (m, 1H), 3.79 (t, J=6.0 Hz, 2H), 3.70-3.45 (m, 2H), 3.46 (s, 3H), 3.31-3.17 (m, 1H), 3.13 (t, J=6.0 Hz, 2H), 2.45 & 2.38 (2 br singlets, amide rotamers, Ar—CH3, 3H), 2.30-1.68 (m, 10H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08871790B2 |
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| Source dataset | uspto-grants-2014_10 |
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| ORD ID | ord-1dd2406b8a8e499d8fb9c4779e41d284 |
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| Source note | uspto-grants-2014_10 |
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