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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2047959Generated: November 3, 2026

Ethanol → (11aS)-2-(4-Aminophenyl)-8-[[5-[[(11aS)-5,11a-dihydro-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-1,11a-dihydro-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

https://huagongshe.com/reaction/2047959

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthanolHCID 702—
ReactantLithium borohydrideHCID 4148881—
ReactantHCID 86656480HCID 86656480—
SolventTetrahydrofuranHCID 8028—
Product(11aS)-2-(4-Aminophenyl)-8-[[5-[[(11aS)-5,11a-dihydro-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-1,11a-dihydro-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-oneHCID 4537656152%

Reaction Steps

Fresh LiBH4 (66 mg, 3.04 mmol) was added to a stirred solution of the SEM-dilactam 12 (428 mg, 0.42 mmol) in THF (3 mL) and EtOH (3 mL) at 0° C. (ice bath). The ice bath was removed and the reaction mixture was allowed to reach room temperature (vigorous effervescence). After 2 hours LC/MS analysis indicated the complete consumption of starting material. The reaction mixture was poured onto ice (50 mL) and allowed to warm to room temperature with stirring. The aqueous mixture was extracted with DCM (3×50 mL) and the combined organic layers washed with H2O (50 mL), brine (50 mL), dried (MgSO4) and concentrated in vacuo. The resulting residue was treated with DCM (2 mL), EtOH (5 mL), H2O (2.5 mL) and silica gel (3.7 g). The viscous mixture was allowed to stir at room temperature for 3 days. The mixture was filtered through a sinter funnel and the silica residue washed with 90% CHCl3: 10% MeOH (˜250 mL) until UV activity faded completely from the eluent. The organic phase was dried (MgSO4) filtered and evaporated in vacuo to provide the crude material. The crude product was purified by flash chromatography (99.5% CHCl3: 0.5% MeOH to 97.5% CHCl3: 2.5% MeOH in 0.5% increments)) to provide the pure C2/C2′ aryl PBD dimer 13 (59 mg, 52%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08592576B2
Source datasetuspto-grants-2013_11
ORD IDord-47a40c6b49c54d83bccbd62ae0a015c8
Source noteuspto-grants-2013_11