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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1746909Generated: October 28, 2026

2-Iodobenzoic acid → HCID 71768544, compound

https://huagongshe.com/reaction/1746909

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-Iodobenzoic acidHCID 6941—
ReactantHCID 89852017HCID 89852017—
SolventDimethyl SulfoxideHCID 679—
ProductHCID 71768544HCID 71768544105.1%

Reaction Steps

Oxidation of 2-(3-((2H-benzo[b][1,4]oxazin-4(3H)-yl)methyl)-1H-pyrazol-1-yl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)nicotinamide (210 mg, 0.410 mmol) in DMSO (6 mL) with 2-iodobenzoic acid as described for example 2.4 gave 220 mg of a yellow solid, which was purified by chromatography over silica gel (eluent CH2Cl2+0-15% methanol). After concentration the obtained solid was recrystallized from 2-propanol to give 78 mg of the title compound as an amorphous solid; ESI-MS [M+H]+: 511.2. 1H-NMR (400 MHz, DMSO), δ[ppm]: 8.97 (m, 1H), 8.55 (m, 1H), 8.29 (m, 1H), 8.09 (m, 1H), 7.84 (m, 1H), 7.70 (m, 1H), 7.44 (m, 1H), 7.31 (m, 4H), 7.22 (m, 1H), 6.82 (m, 1H), 6.70 (m, 1H), 6.61 (m, 1H), 6.50 (m, 1H), 6.34 (m, 1H), 5.44 (m, 1H), 4.26 (d, 1H), 4.20 (d, 1H), 4.12 (m, 2H), 3.25 (m, 3H), 2.88 (dd, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09150545B2
Source datasetuspto-grants-2015_10
ORD IDord-1f8bb488d3e747a28f0c5ed00a45b748
Source noteuspto-grants-2015_10