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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 240256Generated: October 30, 2026

HCID 58031819, compound → HCID 56602328, compound

https://huagongshe.com/reaction/240256

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 58031819HCID 58031819—
Solvent1,4-DioxaneHCID 31275—
ProductHCID 56602328HCID 5660232854.3%

Reaction Steps

A solution of 171 mg of 2-(1-{4-[2-(4-bromo-2-chlorophenoxy)-2-methylpropionylamino]phenyl}but-2-ynyl)malonic acid in 5 ml of dioxane was boiled at 120° C. for 17 h. The reaction mixture was concentrated and separated by means of preparative HPLC (Merck Hibar Purospher Star RP-18e 10 μm 25×250 mm; A: H2O+0.05% TFA; B: ACN+0.05% TFA; flow rate: 50 ml/min; in 15 minutes 10% B→90% B). The product fractions were freeze-dried to obtain 85 mg (54%) of 3-{4-[2-(4-bromo-2-chlorophenoxy)-2-methylpropionylamino]phenyl}hex-4-ynoic acid. C22H21BrClNO4 (478.77), LCMS (ESI-pos): 478/480/482 (M+H+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08648038B2
Source datasetuspto-grants-2014_02
ORD IDord-cdd9a7e994a24d54a3c9a170e33964f3
Source noteuspto-grants-2014_02