3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one -Drug Synthesis Database

【结构式】

【分子编号】55829

【品名】3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one

【CA登记号】

【分子式】C₈H₈O₄

【分子量】168.14912

【元素组成】C 57.14% H 4.8% O 38.06%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(I)

The condensation of 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one (I) with 2,4-dimethoxybenzaldehyde (II) by means of piperidine in refluxing ethanol gives the acryloyl derivative (III), which is finally cyclized with 2-aminoethanethiol (IV) in refluxing ethanol to afford the target thiazepine derivative.

参考文献中间体

合成目标

【1】 Cai, S.X.; Spencer, J.R.; Litvak, J.; Drewe, J.A.; Shelton, E.J.; Sperandio, D. (Cytovia, Inc.); Substd. 1,4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof. WO 0179187 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	55829	3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one		C₈H₈O₄	详情	详情
(II)	55830	2,4-Dimethoxybenzaldehyde	613-45-6	C₉H₁₀O₃	详情	详情
(III)	55831	3-[(E)-3-(2,4-dimethoxyphenyl)-2-propenoyl]-4-hydroxy-6-methyl-2H-pyran-2-one		C₁₇H₁₆O₆	详情	详情
(IV)	13186	2-Aminoethanethiol; 2-Amino-1-ethanethiol; 2-Aminoethylhydrosulfide; Cysteamine	60-23-1	C₂H₇NS	详情	详情

Extended Information