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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 33334Erstellt: 23. Oktober 2026

Triethylamine → 3-Amino-2-(4-chloro-phenylethynyl)-benzoic acid methyl ester

https://huagongshe.com/de/reaction/33334

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktTriethylamineHCID 8471—
EduktBenzene, 1-chloro-4-ethynyl-HCID 70118—
EduktMethyl 2-iodo-3-nitrobenzoateHCID 264093—
KatalysatorCopper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
KatalysatorTetrakis(triphenylphosphine)palladiumHCID 11979704—
LösungsmittelTolueneHCID 1140—
Produkt3-Amino-2-(4-chloro-phenylethynyl)-benzoic acid methyl esterHCID 18340004—

Reaktionsbedingungen

Temperatur80 °C

Reaktionsschritte

2-iodo-3-nitro-benzoic acid methyl ester (0.79 g, 2.84 mmol), 1-chloro-4-ethynylbenzene (0.41 g, 2.99 mmol), palladium tetrakis(triphenylphosphine) (0.16 g, 0.14 mmol), copper (I) iodide (0.03 g, 0.14 mmol), and triethylamine (1.44 g, 14.19 mmol) were dissolved in 15 mL toluene. Argon was bubbled through the resulting solution for 15 min. The reaction was stirred under argon at 80° C. for 2 h and 20 min. The reaction mixture was then washed once with water, dried (MgSO4), and concentrated in vacuo. The orange oil was purified by flash chromatography eluting with 50 to 100% CHCl3/hexanes to yield 3-amino-2-(4-chloro-phenylethynyl)-benzoic acid methyl ester, 0.76 g (94%) as a yellow oil. 1H NMR (300 MHz, d6-DMSO) δ 3.84 (s, 3H), 5.84 (br s, 2H), 6.97 (dd, J=8.1, 1.3 Hz, 1H), 7.05 (dd, J=7.5, 1.2 Hz, 1H), 7.17 (app t, J=7.5 Hz, 1H), 7.49 (d, J=8.7 Hz, 2H), 7.63 (d, J=8.7 Hz, 2H). MS (electrospray, MH+) 286.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS07429578B2
Quelldatensatzuspto-grants-2008_09
ORD IDord-c91e41adde3e4db7afd98cf266b7aeae
Quellennotizuspto-grants-2008_09