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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1970356Erstellt: 25. Oktober 2026

Benzeneethanamine, alpha-methyl-, phosphate (1:1) → (S)-2'-(1H-imidazol-2-yl)-7'-(neopentyloxy)-5H-spiro[oxazole-4,9'-xanthen]-2-amine

https://huagongshe.com/reaction/1970356

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktBenzeneethanamine, alpha-methyl-, phosphate (1:1)HCID 62885—
EduktPotassium AcetateHCID 517044—
Edukt2-Bromo-1H-imidazoleHCID 2773261—
Edukt(S)-2'-(neopentyloxy)-7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-spiro[oxazole-4,9'-xanthen]-2-amineHCID 67246448—
Lösungsmittel1-ButanolHCID 263—
LösungsmittelMethanolHCID 887—
LösungsmittelWaterHCID 962—
Produkt(S)-2'-(1H-imidazol-2-yl)-7'-(neopentyloxy)-5H-spiro[oxazole-4,9'-xanthen]-2-amineHCID 58466116—

Reaktionsbedingungen

Temperatur120 °C

Reaktionsschritte

A solution of (S)-2′-(neopentyloxy)-7′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-spiro[oxazole-4,9′-xanthen]-2-amine (50 mg, 0.108 mmol) in BuOH (861 μL), 2-bromo-1H-imidazole (0.129 mmol), and KOAc (31.7 mg, 0.323 mmol) in Water (215 μL) was purged with Ar in a sealed tube. AmPhos (1.525 mg, 2.153 μmol) was added and the reaction was heated to 120° C. for 30 min in the microwave. The reaction was cooled to rt, diluted with MeOH (3 ml), loaded onto an AccuBOND II SCX cartridge, washed with MeOH (3 ml) and eluted with 2N NH3 in MeOH (6 ml) to give the crude product which was purified by reverse-phase preparative HPLC using a Gemini NX c!8 column (150*30 mm, 5 um), 0.1% TFA in CH3CN/H2O, gradient 0% to 70% over 10 min to provide (S)-2′-(1H-imidazol-2-yl)-7′-(neopentyloxy)-5H-spiro[oxazole-4,9′-xanthen]-2-amine.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08426447B2
Quelldatensatzuspto-grants-2013_04
ORD IDord-da65d4a0bee74d55b5662b02362b7283
Quellennotizuspto-grants-2013_04