HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1397148Generated: October 25, 2026
4-Aminobenzonitrile → 4-(4'-(Cyclopropylmethyl)-2'-(2-hydroxy-2-methylpropylamino)-4,5'-bipyrimidin-2-ylamino)benzonitrile
https://huagongshe.com/reaction/1397148
Participants
| Role | Name | HCID | Charge |
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| Reactant | 4-Aminobenzonitrile | HCID 13396 | — |
| Reactant | Lithium Hexamethyldisilazide | HCID 2733832 | — |
| Reactant | 1-(4'-(Cyclopropylmethyl)-2-(methylsulfinyl)-4,5'-bipyrimidin-2'-ylamino)-2-methylpropan-2-ol | HCID 67983640 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 4-(4'-(Cyclopropylmethyl)-2'-(2-hydroxy-2-methylpropylamino)-4,5'-bipyrimidin-2-ylamino)benzonitrile | HCID 67983689 | 28% |
Reaction Steps
To a solution of 4-aminobenzonitrile (16.34 mg, 0.138 mmol) in THF (277 μl) cooled to −78° C. under nitrogen, LiHMDS (415 μl, 0.415 mmol) was added dropwise. The reaction mixture was warmed up to rt, then was stirred for 30 min. To the reaction mixture cooled back to −78° C., 1-(4′-(cyclopropylmethyl)-2-(methylsulfinyl)-4,5′-bipyrimidin-2′-ylamino)-2-methylpropan-2-ol (5-3) (50 mg, 0.138 mmol) was added, and the reaction mixture was warmed up to rt, then was stirred for additional 1 h. According to LC/MS, the reaction was complete. The crude product was purified by reverse-phase HPLC [30-100% organic phase over 15 min] followed by Biotage silica gel chromatography [10 g SNAP column, 100% DCM to 12% MeOH/DCM] to obtain the desired product (16 mg, 28%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08901147B2 |
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| Source dataset | uspto-grants-2014_12 |
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| ORD ID | ord-a9deddbc73ce4b5ead6dea90329d9b95 |
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| Source note | uspto-grants-2014_12 |
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