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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1930243Generated: October 30, 2026

o-Xylyl bromide → (Z)-7-Chloro-5-(4-methoxyphenyl)-1-methyl-3-(2-methylbenzyl)-1H-benzo[e][1,4]diazepin-2(3H)-one

https://huagongshe.com/reaction/1930243

Reaction equation

Participants

RoleNameHCIDCharge
Reactanto-Xylyl bromideHCID 6992—
Reactant14-BENZDIAZPIN-2-ONE,1ME5-(4MEOPH)7CLHCID 3085818—
ReactantAcetone cardiceHCID 18522661—
ReactantPotassium tert-butoxideHCID 23665647—
SolventTetrahydrofuranHCID 8028—
Product(Z)-7-Chloro-5-(4-methoxyphenyl)-1-methyl-3-(2-methylbenzyl)-1H-benzo[e][1,4]diazepin-2(3H)-oneHCID 5959440484.1%

Reaction Steps

To a stirred and cooled (dry ice/acetone bath) solution of E1 (0.50 g, 1.59 mmol) in THF (8 mL) was slowly added 1 M KOtBu (2.4 mL, 2.4 mmol, 1.5 eq). The resulting deep red mixture was stirred over dry ice/acetone bath ˜10 min followed by the slow addition of a solution of 2-methylbenzyl bromide (0.46 g, 2.5 mmol, 1.5 eq) in THF (2 mL). After stirring another ˜35 min at −78° C., the reaction mixture was quenched with water and diluted with EtOAc. The organic layer was dried (Na2SO4), filtered and evaporated (rotovap, then high vacuum). Chromatography over silica gel using 20-40% EtOAc/heptane gave 0.56 g (yield of 84%) of the title product. Noting that, when using benzyl chlorides as alkylating agents, tetrabutyl ammonium iodide was added along with the alkylating agent at the low temperature. 1H NMR (300 MHz, CDCl3) δ 2.38 (s, 3H), 3.41 (s, 3H), 3.5-3.65 (m, 2H), 3.74 (dd, 1H), 3.84 (s, 3H), 6.89 (dt, 2H), 7.05-7.15 (m, 3H), 7.25-7.35 (m, 3H), 7.45-7.5 (m, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08188072B2
Source datasetuspto-grants-2012_05
ORD IDord-73c4960a83ad4ebb91e79096ef9df35c
Source noteuspto-grants-2012_05