Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1046279Generated: October 26, 2026

Triethylamine → methyl 4-[(hexahydro-1H-1,4-diazepin-1-yl)methyl]benzoate

https://huagongshe.com/reaction/1046279

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriethylamineHCID 8471—
ReactantHexahydro-1,4-diazepineHCID 68163—
ReactantMethyl 4-(bromomethyl)benzoateHCID 256687—
ReactantSodium BicarbonateHCID 516892—
SolventTetrahydrofuranHCID 8028—
Productmethyl 4-[(hexahydro-1H-1,4-diazepin-1-yl)methyl]benzoateHCID 2888127256.2%

Reaction Steps

Alternatively, a mixture of hexahydro-1H-1,4-diazepine (17.47 g, 174.4 mmol) and methyl 4-(bromomethyl)benzoate (5.0 g, 21.8 mmol) was heated with triethylamine (24 mL, 174.4 mmol) in tetrahydrofuran (872 mL) to reflux for three hours. After cooling, the mixture was treated with saturated sodium bicarbonate solution. The mixture was extracted with ethyl acetate. The organic layer was washed with brine, dried over sodium sulfate, and concentrated under reduced pressure. Flash chromatography gave 3.04 g of methyl 4-[(hexahydro-1H-1,4-diazepin-1-yl)methyl]benzoate, 1H NMR (300 MHz, CDCl3) δ 7.98 (d, 2H), 7.42 (d, 2H), 3.90 (s, 3H), 3.70 (s, 2H), 2.97 (m, 2H), 2.91 (m, 2H), 2.67 (m, 2H), 2.66 (m, 2H), 1.77 (m, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08569303B2
Source datasetuspto-grants-2013_10
ORD IDord-6c67fb5fa2c04075a6baac0a154fd64b
Source noteuspto-grants-2013_10