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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2197939Generated: October 29, 2026

Water → HCID 68461384, compound

https://huagongshe.com/reaction/2197939

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium HydroxideHCID 14798—
ReactantHCID 68458395HCID 68458395—
SolventHydrochloric AcidHCID 313—
ProductHCID 68461384HCID 68461384—

Reaction Steps

The product from Example 185d was dissolved in 50% HCl:H2O and heated to 100° C. for 1 hr. Reaction mixture was then cooled to room temperature, made basic with 2N NaOH, and extracted with CH2Cl2. Dried over Na2SO4, filtered and concentrated under vacuum giving the crude title compound. Purified by HPLC with TFA providing the product as a trifluoroacetic acid (87 mg, 64%). 1H NMR (300 MHz, DMSO-d6) δ ppm: 0.98 (t, J=7.35 Hz, 3H), 1.79-1.92 (m, J=7.43, 7.43, 7.43, 7.43, 7.43 Hz, 2H), 2.32 (s, 3H), 3.00 (t, J=7.54 Hz, 2H), 6.34 (d, J=6.99 Hz, 1H), 6.49 (t, J=7.54 Hz, 1H), 6.68 (d, J=6.99 Hz, 1H), 6.92 (d, J=8.09 Hz, 1H), 7.05-7.13 (m, 1H), 7.15-7.20 (m, 1H), 7.24 (d, J=8.46 Hz, 1H), 7.28 (s, 1H), 7.84 (d, J=8.82 Hz, 1H), 8.42 (d, J=6.99 Hz, 1H), 9.06 (d, J=8.82 Hz, 1H); MS (ESI+) m/z 401 (M+H−TFA)+; (ESI−) m/z 399 (M−H−TFA)−.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08338605B2
Source datasetuspto-grants-2012_12
ORD IDord-726d28cdf32a4ec3a3f2ad3920e65812
Source noteuspto-grants-2012_12