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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2043373Generated: October 31, 2026

Sodium Carbonate → HCID 67254694, compound

https://huagongshe.com/reaction/2043373

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
Reactant3,4-DibromothiopheneHCID 18452—
Reactant3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileHCID 56776929—
CatalystHCID 178418397HCID 178418397—
SolventEthyl AcetateHCID 8857—
SolventEthanol toluene waterHCID 86587398—
ProductHCID 67254694HCID 6725469469%

Reaction Conditions

Temperature80 °C

Reaction Steps

A mixture of 3,4-dibromothiophene (3 g, 12.5 mmol), 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (2 g, 12.5 mmol), Na2CO3 (2.7 g, 25 mmol), Pd(PPh3)4 (1.4 g, 1.25 mmol) in a mixture of toluene/EtOH/H2O (40 mL, 5:3:2) was stirred at 80° C. under nitrogen overnight. The reaction mixture was diluted with EtOAc (80 mL), and washed with water and brine. The organic phase was dried over Na2SO4, concentrated in vacuo, and purified on silica gel column (PE: EtOAc=30:1) to afford 4-(4-bromothiophen-3-yl)-3-methylbenzonitrile (Scheme III, 13, X1=4-cyano-2-methylphenyl) (2.4 g, yield 68%) as yellow oil. 1H NMR (CD3OD 400 MHz): δ 7.56 (s, 1H), 7.50-7.48 (m, 2H), 7.31 (d, J=3.2 Hz, 1H), 7.22 (d, J=7.6 Hz, 1H), 2.10 (s, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08586624B2
Source datasetuspto-grants-2013_11
ORD IDord-569f34ac653044b0b66d6e024ff6c41a
Source noteuspto-grants-2013_11