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HRID 78264作成日:2026年10月25日

Trimethylsilylacetylene → 1-Ethynyl-3-methoxymethoxymethyl-benzene

https://huagongshe.com/reaction/78264

反応式

関与物質

役割名称HCID仕込み量
反応物TrimethylsilylacetyleneHCID 66111—
反応物DiisopropylethylamineHCID 81531—
反応物Tetrabutylammonium FluorideHCID 2724141—
反応物1-Bromo-3-[(methoxymethoxy)methyl]benzeneHCID 11447578—
反応物(3-Methoxymethoxymethyl-phenylethynyl)-trimethyl-silaneHCID 66707789—
触媒Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
触媒HCID 178418397HCID 178418397—
溶媒TetrahydrofuranHCID 8028—
溶媒N-methyl-2-pyrrolidoneHCID 13387—
生成物1-Ethynyl-3-methoxymethoxymethyl-benzeneHCID 14481692—

反応条件

温度60 °C

反応手順

To a mixture of 1-bromo-3-methoxymethoxymethyl-benzene (3.0 g, 13 mmol) described in Manufacturing Example 214-1-1, trimethylsilylacetylene (2.6 g, 26 mmol), N,N-diisopropylethylamine (3.4 g, 26 mmol), copper (I) iodide (500 mg, 2.6 mmol), and 1-methyl-2-pyrrolidone (30 mL) was added tetrakis(triphenylphosphine)palladium (0) (1.5 g, 1.3 mmol), which was stirred for 15 minutes at 60° C. This mixture was partitioned into ethyl acetate and water. The organic layer was separated and concentrated under a reduced pressure. The residue was purified by silica gel column chromatography (heptane:ethyl acetate=8:1) to obtain a mixture of (3-methoxymethoxymethyl-phenylethynyl)-trimethyl-silane and 1-bromo-3-methoxymethoxymethyl-benzene (3.0 g of mixture, including approximately 30% (3-methoxymethoxymethyl-phenylethynyl)-trimethyl-silane). Tetrabutylammonium fluoride (2 mL, 1 M tetrahydrofuran solution) was added to a tetrahydrofuran (20 mL) solution of this mixture, which was stirred for 15 minutes at room temperature. The reaction solution was partitioned into ethyl acetate and water. The organic layer was separated and concentrated under a reduced pressure. The residue was purified by silica gel column chromatography (heptane:ethyl acetate=20:1) to obtain 1-ethynyl-3-methoxymethoxymethyl-benzene (470 mg). To a methanol (10 mL) solution of this 1-ethynyl-3-methoxymethoxymethyl-benzene (470 mg, 2.6 mmol) was added 5 N hydrochloric acid, which was stirred for 25 minutes at 70° C. The reaction solution was partitioned into ethyl acetate and water. The organic layer was separated and concentrated under a reduced pressure to obtain the title compound (350 mg, 20%).

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US08841327B2
出典データセットuspto-grants-2014_09
ORD IDord-64d57b9ab8a04ac0af5307b420563e63
出典メモuspto-grants-2014_09