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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2117987Generated: October 30, 2026

Diisopropylamine → HCID 178458164, compound

https://huagongshe.com/reaction/2117987

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylamineHCID 7912—
ReactantAmmonium HydroxideHCID 14923—
ReactantCyclopropylacetyleneHCID 138823—
ReactantHCID 16731188HCID 16731188—
CatalystCopper iodideHCID 83717—
CatalystHCID 178418397HCID 178418397—
SolventDimethylformamideHCID 6228—
SolventEthyl AcetateHCID 8857—
ProductHCID 178458164HCID 17845816428.6%

Reaction Conditions

Temperature62.5 °C

Reaction Steps

A round bottomed flask containing 2-[6-bromo-9-(1-hydroxy-1-methylethyl)-1H-phenanthro[9,10-d]imidazol-2-yl]isophthalonitrile from Example 87 (1.26 g, 2.62 mmol), Pd(PPh3)4 (190 mg, 0.27 mmol) and copper iodide (100 mg, 0.52 mmol) was purged with nitrogen for 15 minutes, followed by addition of DMF (50 mL), cyclopropyl acetylene (1.4 mL, 21 mmol) and di-isopropylamine (560 μL, 4 mmol). The resulting mixture was heated at 60-65° C. for 3.5 h, cooled to room temperature and then poured into a mixture of NH4OH and ethyl acetate and stirred for 1 h. The aqueous phase was extracted with ethyl acetate, the organic layer washed once with water, once with brine, dried over Na2SO4, filtered and concentrated. The material obtained after purification by flash chromatography on silica (30-100% ethyl acetate in toluene) was swished in toluene for 2 h and then filtered to afford 2-[6-(cyclopropylethynyl)-9-(1-hydroxy-1-methylethyl)-1H-phenanthro[9,10-d]imidazol-2-yl]isophthalonitrile as a yellow solid (350 mg). The mother liquor was combined with the mixed fractions and re-purified by flash chromatography on silica (3-40% acetonitrile in toluene) to afford 286 mg the bis-nitrile (total yield 52%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07442716B2
Source datasetuspto-grants-2008_10
ORD IDord-00ae900c413f42caac6f29882786ac2b
Source noteuspto-grants-2008_10