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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 81276Generated: October 29, 2026

Dimethylacetamide → HCID 178461235, compound

https://huagongshe.com/reaction/81276

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDimethylacetamideHCID 31374—
ReactantHCID 178461233HCID 178461233—
CatalystZinc cyanide (Zn(CN)2)HCID 11186—
CatalystHCID 178418397HCID 178418397—
SolventWaterHCID 962—
ProductHCID 178461235HCID 178461235—

Reaction Conditions

Temperature90 °C

Reaction Steps

4-[2-(benzyloxy)-5-chloropyridin-3-yl]-6-chloro-2-[(trans)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridine (racemic, 450 mg, 0.74 mmol), zinc cyanide (43 mg, 0.37 mmol) and Pd(PPh3)4 (128 mg, 0.11 mmol) were placed in a dry vial. Degassed DMA (4 mL) was added to the reaction, and the reaction was placed under an atmosphere of Ar, sealed, and heated at 90° C. for 12 hours. The reaction was then cooled to room temperature, and cold water was added slowly. The aqueous layer was extracted with EtOAc. The combined organic layers were dried over Na2SO4, filtered, and concentrated under reduced pressure. Purification of the residue on a silica gel column (0 to 50% EtOAc/hexanes) afforded 4-[2-(benzyloxy)-5-chloropyridin-3-yl]-2-[(trans)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridine-6-carbonitrile as a racemic mixture. The enantiomers were separated on a chiral OD column using 2% IPA/98% heptanes. MS ES calc'd. for C34H37ClN6O2 [M+H]+ 597. found 597.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08846657B2
Source datasetuspto-grants-2014_09
ORD IDord-84c3c11a6db74a07ac56f749d6a7c3e1
Source noteuspto-grants-2014_09