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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 70038Erstellt: 24. Oktober 2026

Toluene → Biphenyl-3-yl(3,4,5-trimethoxyphenyl)sulfane

https://huagongshe.com/de/reaction/70038

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktTolueneHCID 1140—
Edukt4-MethoxybenzenethiolHCID 12765—
Edukt5-Iodo-1,2,3-trimethoxybenzeneHCID 298133—
EduktSodium t-butoxideHCID 23676156—
KatalysatorCopper iodideHCID 83717—
ProduktBiphenyl-3-yl(3,4,5-trimethoxyphenyl)sulfaneHCID 53363791—

Reaktionsbedingungen

Temperatur110 °C

Reaktionsschritte

To a solution of 52a (1.1 g, crude compound) in ethanol (8 mL) was added potassium hydroxide (2.1 g, 12 mL) and heated to reflux for overnight. The solution was cooled to RT and the ethanol was evaporated under reduced pressure. The residue was dissolved in water and washed with diethyl ether (10 mL). The aqueous layer was acidified with 2 N HCl and extracted with diethyl ether (3×50 mL). The organic extracts were washed with water (50 mL), brine (50 mL), dried over MgSO4, filtered and evaporated under reduced pressure to afford 0.85 g (77.3%) of crude biphenyl-3-thiol product (overall, 3 steps). Into a round-bottomed flask, stirred magnetically, were placed 0.1 g (1.04 mmol) of sodium tert-butoxide and 83 mg of copper iodide (0.43 mmol). After the reaction vessel was sealed, 0.13 g (0.71 mmol) of 4-methoxybenzenethiol and 0.19 g (0.65 mmol) of 5-iodo-1,2,3-trimethoxybenzene in 3.0 mL of toluene were injected through the septum. The reaction mixture was heated for overnight at 110° C. Purification was performed by flash chromatography, and an amorphous solid was obtained (40% yield). 1H NMR (500 MHz, CDCl3) δ 7.54-7.52 (m, 3H), 7.44-7.41 (m, 3H), 7.37-7.33 (m, 2H), 7.23 (s, br, 1H), 6.69 (s, 2H), 3.86 (s, 3H), 3.80 (s, 6H). MS (ESI) m/z 353.2 (M+H)+.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08822513B2
Quelldatensatzuspto-grants-2014_09
ORD IDord-3e82cb88d14446e2bd8f782698bad02c
Quellennotizuspto-grants-2014_09