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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 572016Generated: October 29, 2026

Methanol → trans-4-[2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrile

https://huagongshe.com/reaction/572016

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanolHCID 887—
ReactantDiisopropylethylamineHCID 81531—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant(1R,2R)-2-(4-cyanophenyl)cyclopropane-1-carboxylic acidHCID 67330003—
SolventDimethylformamideHCID 6228—
SolventDichloromethaneHCID 6344—
Producttrans-4-[2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzonitrileHCID 2519678868.8%

Reaction Steps

To a solution of 21C (0.75 g, 4.01 mmol), 1-cyclobutylpiperazine, 2HCl (0.854 g, 4.01 mmol) and N-Ethyldiisopropylamine (2.79 mL, 16.03 mmol) in 20 ml of DMF at RT was added in portions HATU (1.523 g, 4.01 mmol). This was stirred for 60 min. then concentrated. The reaction was partitioned between EtOAc and 1 N HCl. The aq. layer was extracted 3× with EtOAc then made basic with 2 N NaOH. The aq. layer was extracted 3× with EtOAc and the combined organic layers were washed with brine then dried over MgSO4, filtered and concentrated. Purification was performed using a gradient of 0% to 10% MeOH in DCM. A second purification was necessary using first 100% EtOAc then 2-5% MeOH in DCM providing 0.853 g of 21D (68.8% yield).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09029381B2
Source datasetuspto-grants-2015_05
ORD IDord-95b2629e9f784c58af4577a37387bcb8
Source noteuspto-grants-2015_05