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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2359758Generated: October 31, 2026

4-Aminobenzonitrile → 4-(4'-(Cyclopropylmethyl)-2'-(2-hydroxy-2-methylpropylamino)-4,5'-bipyrimidin-2-ylamino)benzonitrile

https://huagongshe.com/reaction/2359758

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-AminobenzonitrileHCID 13396—
ReactantLithium HexamethyldisilazideHCID 2733832—
Reactant1-(4'-(Cyclopropylmethyl)-2-(methylsulfinyl)-4,5'-bipyrimidin-2'-ylamino)-2-methylpropan-2-olHCID 67983640—
SolventTetrahydrofuranHCID 8028—
Product4-(4'-(Cyclopropylmethyl)-2'-(2-hydroxy-2-methylpropylamino)-4,5'-bipyrimidin-2-ylamino)benzonitrileHCID 6798368928%

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 minutes. 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 hour. According to LC/MS, the reaction was complete. The crude product was purified by reverse-phase HPLC [30-100% organic phase over 15 minutes] 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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08685993B2
Source datasetuspto-grants-2014_04
ORD IDord-61105dd03a7f4545b10c5f8bb4edeeab
Source noteuspto-grants-2014_04