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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1014351Generated: October 31, 2026

Sodium borohydride → HCID 59441906, compound

https://huagongshe.com/reaction/1014351

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium borohydrideHCID 4311764—
ReactantHCID 59441891HCID 59441891—
SolventMethanolHCID 887—
SolventTetrahydrofuranHCID 8028—
ProductHCID 59441906HCID 5944190671.9%

Reaction Steps

1-(1-methylethyl)-4-[3-(methyloxy)-4-nitrophenyl]hexahydro-1H-1,4-diazepine (0.565 g, 1.92 mmol) was suspended in 5 mL THF and 10 mL MeOH. NiCl2-6H2O (138 mg, 0.576 mmol) was added followed by slow addition of NaBH4 (218 mg, 5.76 mmol). The reaction mixture was adsorbed on SiO2 and purified via column chromatography to afford 4-[4-(1-methylethyl)hexahydro-1H-1,4-diazepin-1-yl]-2-(methyloxy)aniline (364 mg, 1.38 mmol). 1H NMR (400 MHz, DMSO-d6)δ ppm 0.89-1.06 (m, 6 H) 1.71-1.88 (m, 2 H) 2.69 (br. s., 2 H) 2.81-2.97 (m, 1 H) 3.23-3.47 (m, 6H) 3.66-3.77 (m, 3 H) 3.82-4.27 (m, 2 H) 6.08 (br. s., 1 H) 6.25 (br. s., 1 H) 6.49 (br. s., 1 H). ESIMS (M+H)+=264.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07981903B2
Source datasetuspto-grants-2011_07
ORD IDord-0a8293c86c7e40dd945546b49be17fb7
Source noteuspto-grants-2011_07