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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 600449Generated: October 29, 2026

Chlorine → HCID 178509501, compound

https://huagongshe.com/reaction/600449

Reaction equation

Participants

RoleNameHCIDCharge
ReactantChlorineHCID 24526—
Reactant3,3-DifluoroazetidineHCID 2758248—
ReactantHCID 178496593HCID 178496593—
SolventHCID 67059519HCID 67059519—
ProductHCID 178509501HCID 178509501—

Reaction Steps

Synthesized from 3-(6-chloro-9-(trans-4-methoxycyclohexyl)-8-oxo-8,9-dihydro-7H-purin-2-yl)-3H-benzo[d]imidazole-5-carbonitrile by demethylation, followed by displacement of chlorine in the 6-chloropurinone with 3,3-difluoroazetidine. 1HNMR (300 MHz, CDCl3+CD3OD) δ, ppm: 9.12 (s, 1H), 8.92 (s, 1H), 7.90 (d, 1H), 7.64 (dd, 1H), 4.71 (t, 4H), 4.46-4.32 (m, 1H), 3.98-3.83 (m, 1H), 2.64-2.46 (m, 2H), 2.24-2.15 (m, 2H), 1.97-1.87 (m, 2H), 1.62-1.46 (m, 2H); MS (EI) m/z 467.0 (MH)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07902187B2
Source datasetuspto-grants-2011_03
ORD IDord-0f404b33359e4715924d09f41bb54ca3
Source noteuspto-grants-2011_03