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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1043743Generated: October 31, 2026

Sodium Carbonate → HCID 67053539, compound

https://huagongshe.com/reaction/1043743

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
Reactant5-Chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineHCID 57416219—
ReactantHCID 67053594HCID 67053594—
Solvent1,2-DimethoxyethaneHCID 8071—
ProductHCID 67053539HCID 67053539—

Reaction Steps

Two separate reaction vials were each charged with 3-(4-(4-bromo-2-cyclopropyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)pyrimidin-2-ylamino)propanenitrile (I-1c, ˜200 mg, 0.43 mmol), a solution of 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (0.2 M in dioxane, 8 mL, 1.6 mmol), DME (8 mL) and aqueous 2.0 M Na2CO3 solution (2.3 mL, 4.6 mmol). The resulting mixture was sparged with Argon and Pd(PPh3)4 was added. The reaction vials were sealed and irradiated at 120° C. for 20 minutes in a microwave reactor. LCMS indicated near complete conversion. Additional 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (0.2 M in dioxane, 8 mL, 1.6 mmol) was added and the reaction was irradiated at 120° C. for 7 minutes. The reactions were allowed to cool to room temperature which partitioned upon standing. The layers were separated and the organic portions of the two reactions were combined and concentrated. The resulting residue was partitioned between EtOAc (200 mL) and water (20 mL). The layers were separated and the organic portion was washed with aqueous 0.1 N HCl solution (40 mL), brine, dried (Na2SO4), and concentrated to give 3-(4-(4-(3-amino-5-chloro-2-fluorophenyl)-2-cyclopropyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)pyrimidin-2-ylamino)propanenitrile as a crude residue which was carried forward without further purification: LCMS (m/z) 528.2 (MH+), tR=0.90 minute.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08563553B2
Source datasetuspto-grants-2013_10
ORD IDord-b91545b21e9f489aa578f67b421fab50
Source noteuspto-grants-2013_10