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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 422702Generated: October 29, 2026

Ammonia → HCID 57680997, compound

https://huagongshe.com/reaction/422702

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAmmoniaHCID 222—
ReactantPyridineHCID 1049—
ReactantPhenylboronic AcidHCID 66827—
Reactant6-Chloro-7-iodo-7-deazapurineHCID 14809281—
CatalystCupric acetateHCID 8895—
SolventDichloromethaneHCID 6344—
ProductHCID 57680997HCID 57680997—

Reaction Steps

A mixture of 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (prepared according to: L. B. Townsend et al., J. Med. Chem. 1990, 33 (7), 1984-92) (280 mg, 1.00 mmol), phenylboronic acid (244 mg, 2.00 mmol), pyridine (165 μL, 161 mg, 2.04 mmol), and Cu(OAc)2 (272 mg, 1.50 mmol) in CH2Cl2 (5 mL) was stirred under air at ambient temperature for 12 d. Aqueous ammonia (1 M) and CH2Cl2 were added, the solids were filtered off, the layers of the filtrate were separated, the aqueous layer was extracted with CH2Cl2 (2×30 mL), the combined CH2Cl2 layers were washed with 1 M aqueous ammonia (2×), 2 M NaOH (2×), and brine and dried over MgSO4. The crude material was adsorbed onto Hydromatrix and chromatographed on silica gel [Jones Flashmaster, 20 g/70 mL cartridge, eluting with CH2Cl2], yielding the title compound as off-white solid. 1H NMR (CDCl3, 400 MHz): δ=7.43-7.48 (m, 1H), 7.54-7.60 (m, 2H), 7.61-7.65 (m, 2H), 7.69 (s, 1H), 8.68 (s, 1H). MS (ES+): m/z 355.9/357.9 (100/35) [MH+]. HPLC: tR=3.8 min (OpenLynx, polar—5 min).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08101613B2
Source datasetuspto-grants-2012_01
ORD IDord-b8b05c7dd22a44b2903b7afea9e30190
Source noteuspto-grants-2012_01