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HRID 1948844作成日:2026年10月26日

Water → 6-Chloro-2-phenyl-4H-3,1-benzoxazin-4-one

https://huagongshe.com/reaction/1948844

反応式

関与物質

役割名称HCID仕込み量
反応物WaterHCID 962—
反応物Benzoyl chlorideHCID 7412—
反応物Sodium CarbonateHCID 10340—
反応物2-Amino-5-chlorobenzoic acidHCID 12476—
溶媒TetrahydrofuranHCID 8028—
生成物6-Chloro-2-phenyl-4H-3,1-benzoxazin-4-oneHCID 69101692.7%

反応手順

Benzoyl chloride (5.3 mL, 45 mmol) was added dropwise to a suspension of Na2CO3 (3.8 g, 36 mmol) and 2-amino-5-chloro-benzoic acid (3.1 g, 18 mmol) in THF (60 mL). The mixture was allowed to stir for 16 h and then H2O (200 mL) was added. The resulting precipitate was collected by filtration, washed with MeOH/H2O (1/1, 100 mL) and then dried in vacuo to provide 6-chloro-2-phenyl-benzo[d][1,3]oxazin-4-one (4.3 g, 92%). To a suspension of the benzoxazinone (5.0 g, 19 mmol) in CH2Cl2 (100 mL) at −78° C. was added o-tolylmagnesium chloride (2 M in THF, 48 mmol) dropwise. The mixture was allowed to warm to −30° C. and stir for 1 h. 1N HCl (100 mL) was then added. The organic phase was collected and the aqueous phase was washed with CH2Cl2 (2×50 mL). The combined organic portions were washed with 0.1N NaOH (2×50 mL), dried over MgSO4, filtered and concentrated in vacuo to provide N-[4-chloro-2-(2-methyl-benzoyl)-phenyl]-benzamide (6.3 g, 93%). The acylated amino-benzophenone (3.5 g, 10 mmol) was dissolved in MeOH (50 mL) containing KOH (3 M, 30 mmol) and was refluxed for 16 h. The solution was then cooled to room temperature and diluted with H2O (50 mL) and EtOAc (100 mL). The organic phase was collected, washed with H2O (3×50 mL), dried over MgSO4, filtered and evaporated to dryness in vacuo to provide 1m (2.4 g, 98%) MS m/z=246 (M+H).

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US08399659B2
出典データセットuspto-grants-2013_03
ORD IDord-f250cae8639e4f27896d66c6da2e878d
出典メモuspto-grants-2013_03