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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1010016Generated: October 31, 2026

Sodium Iodide → HCID 58890627, compound

https://huagongshe.com/reaction/1010016

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium IodideHCID 5238—
Reactant1-MethylpiperazineHCID 53167—
Reactant6-(4-bromo-2-chloro-phenylamino)-3-(4-chloro-butyl)-7-fluoro-3H-benzoimidazole-5-carboxylic acid cyclopropylmethoxy-amideHCID 58890690—
SolventEthyl AcetateHCID 8857—
ProductHCID 58890627HCID 5889062773.1%

Reaction Steps

A solution of 6-(4-bromo-2-chloro-phenylamino)-3-(4-chloro-butyl)-7-fluoro-3H-benzoimidazole-5-carboxylic acid cyclopropylmethoxy-amide 18ee (10 mg, 0.018 mmol), sodium iodide (14 mg, 0.092 mmol), and 1-methyl-piperazine (10 μL, 0.092 mmol) are stirred at 85° C. for three hours. The reaction mixture is diluted with ethyl acetate and washed three times with water, washed twice with saturated aqueous potassium carbonate, dried (Na2SO4) and concentrated under reduced pressure to a yellow oil. Flash column chromatography (1:1 dichloromethane/methanol followed by methanol followed by 20:1 methanol/triethylamine) yields clean product (8 mg, 72%) as an off-white foam. MS ESI (+) m/z 607, 609 (M+, Br pattern) detected. 1H NMR (400 MHz, DMSO-d6) δ 8.37 (s, 1H), 7.71 (s, 1H), 7.49 (d, 1H), 7.18 (dd, 1H), 6.40 (dd, 1H), 4.38 (t, 2H), 3.62 (d, 2H), 2.45 (broad, 8H), 2.41 (t, 2H), 2.28 (s, 3H), 1.96 (m, 2H), 1.54 (m, 2H), 1.07 (m, 1H), 0.50 (d, 2H), 0.22 (d, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07973170B2
Source datasetuspto-grants-2011_07
ORD IDord-8bc35ccb39314a0884568872b2f7ab10
Source noteuspto-grants-2011_07