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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 886450Generated: October 30, 2026

Dimethylformamide → HCID 58204885, compound

https://huagongshe.com/reaction/886450

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDimethylformamideHCID 6228—
Reactant9-Bromo-2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepineHCID 58204322—
CatalystZinc cyanide (Zn(CN)2)HCID 11186—
CatalystBis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)HCID 11714597—
SolventEthyl AcetateHCID 8857—
ProductHCID 58204885HCID 5820488559%

Reaction Conditions

Temperature125 °C

Reaction Steps

A microwave vial was charged with a solution of 9-bromo-2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine 411 (0.300 mg, 0.699 mmol) in 2.0 ml DMF. To this solution was added zinc cyanide (250 mg, 2.1 mmol). The reaction mixture was degassed by bubbling nitrogen through the stirred mixture via a syringe. After several minutes the syringe was removed and Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) (100 mg, 0.140 mmol) was added and the reaction vial was quickly sealed. The sealed vial was flash heated in a microwave at 125° C. for 30 minutes. The cooled reaction was diluted with EtOAc and the organic solution was washed with water×1, saline×1 and dried (Na2SO4) before concentration in vacuo. The crude residue was purified by preparative RP-HPLC to give 156 mg of 443 (59% theoretical yield) 1H NMR (400 MHz, DMSO) δ 8.55 (d, J=8.2 Hz, 1H), 8.02 (s, 1H), 7.74-7.46 (m, 2H), 5.79 (dt, J=13.1, 6.6 Hz, 1H), 4.57 (s, 4H), 2.29 (d, J=28.5 Hz, 3H), 1.46 (d, J=6.6 Hz, 6H)

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08242104B2
Source datasetuspto-grants-2012_08
ORD IDord-999421c1c40640b4a5cbc6ae911a7796
Source noteuspto-grants-2012_08