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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2085801Generated: October 31, 2026

Water → HCID 68454720, compound

https://huagongshe.com/reaction/2085801

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantPotassium cyanateHCID 11378442—
ReactantHCID 69058342HCID 69058342—
SolventMethanolHCID 887—
ProductHCID 68454720HCID 68454720—

Reaction Steps

A solution of Example 287 (60 mg, 0.1 mmol) and potassium cyanate (20 mg, 0.25 mmol) in methanol (1 mL) was stirred at 55° C. for 1.5 hours, cooled to room temperature, treated with water, and extracted with dichloromethane. The combined extracts were washed with saturated sodium bicarbonate, dried (MgSO4), filtered, and concentrated. The concentrate was purified by reverse phase HPLC with 0-100% acetonitrile/water containing 0.1% TFA to provide the desired product. MS (ESI(+)) m/e 709 (M+H)+; 1H NMR (500 MHz, DMSO-d6) δ11.97 (s, 1H), 8.53 (d, 1H), 8.32 (d, 1H), 7.85 (dd, 1H), 7.73 (d, 2H), 7.25-7.10 (m, 6H), 6.93 (d, 2H), 5.90 (s, 1H), 4.10 (m, 1H), 3.34 (m, 6H), 2.91 (t, 2H), 1.75 (m, 2H), 1.59 (m, 4H), 1.42 (m, 8H), 1.34 (m, 4H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06720338B2
Source datasetuspto-grants-2004_04
ORD IDord-5b9a6aa8d8374061b2ab5ec9a17caaff
Source noteuspto-grants-2004_04