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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1012973Generated: October 30, 2026

Tert-butyl 1,4-diazepane-1-carboxylate → 4-[[3-[(Hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone

https://huagongshe.com/reaction/1012973

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTert-butyl 1,4-diazepane-1-carboxylateHCID 2756058—
Reactant3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acidHCID 25131906—
Product4-[[3-[(Hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]methyl]-1(2H)-phthalazinoneHCID 2513225697%

Reaction Steps

The synthesis was carried out according to the method described in (a) above using 3-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic acid (A) and tert-butyl 1-homopiperazine carboxylate to yield 4-[3-([1,4]diazepane-1-carbonyl)benzyl]-2H-phthalazin-1-one (3) as a grey crystalline solid (5.3 g, 97%); m/z [M+1]+ 363 (97% purity); δH 2.6-3.8 (10H, m), 4.4 (2H, s), 7.2-7.5 (4H, m), 7.7-8.0 (3H, m), 8.2-8.3 (1H, m), 12.6 (1H, s)

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07981889B2
Source datasetuspto-grants-2011_07
ORD IDord-52d47f10a2c84959aa80f054b25dd4e9
Source noteuspto-grants-2011_07