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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1785849Generated: October 29, 2026

Water → HCID 68454720, compound

https://huagongshe.com/reaction/1785849

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) δ 11.97 (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, 1H), 1.59 (m, 4H), 1.42 (m, 8H), 1.34 (m, 4H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07504512B2
Source datasetuspto-grants-2009_03
ORD IDord-35b3679ab5b0449ea4e1d0eaec1f9fdb
Source noteuspto-grants-2009_03