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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1800364Generated: October 30, 2026

Diisopropylethylamine → tert-butyl (NE)-N-[[(9-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carbonyl)amino]-methylsulfanylmethylidene]carbamate

https://huagongshe.com/reaction/1800364

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant9-Bromo-5,6-dihydrobenzo[F]imidazo[1,2-D][1,4]oxazepine-2-carboxylic acidHCID 58204351—
Reactanttert-butyl N-[(methylsulfanyl)methanimidoyl]carbamateHCID 137319820—
SolventDichloromethaneHCID 6344—
Producttert-butyl (NE)-N-[[(9-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carbonyl)amino]-methylsulfanylmethylidene]carbamateHCID 17850394760%

Reaction Steps

9-Bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2-carboxylic acid (3.2 g, 10.4 mmol), methyl N-Boc-carbamimidothioate (4.7 g, 12.4 mmol), HATU (5.0 g, 26.0 mmol) and DIPEA (6.7 g, 52.1 mmol) were dissolved in DCM (200 mL). After the resulting mixture was stirred at room temperature for 2 h, the reaction mixture was concentrated and methanol (50 mL) was added and filtered. The solid was collected to give methyl N′-9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2-carbonyl-N-Boc-carbamimidothioate (3.0 g, 60%). 1H NMR (DMSO, 400 MHz) δ 12.84 (s, 1H), 8.31 (s, 1H), 8.18 (s, 1H), 7.32-7.27 (m, 2H), 5.72 (s, 1H), 4.49 (s, 4H), 2.30 (s, 3H), 1.49 (s, 9H)

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08343955B2
Source datasetuspto-grants-2013_01
ORD IDord-618506279b8442bd8d7934e84cd552ef
Source noteuspto-grants-2013_01