2-Mercapto-4(3H)-quinazolinone 2-Thio-4(3H)-quinazolinone; 2-Mercapto-4(3H)-quinazolinone 2-Thio-4(3H)-quinazolinone -Drug Synthesis Database

【结构式】

【分子编号】61384

【品名】2-Mercapto-4(3H)-quinazolinone 2-Thio-4(3H)-quinazolinone; 2-Mercapto-4(3H)-quinazolinone 2-Thio-4(3H)-quinazolinone

【CA登记号】13906-09-7

【分子式】C₈H₆N₂OS

【分子量】178.21452

【元素组成】C 53.92% H 3.39% N 15.72% O 8.98% S 17.99%

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)

2-Mercapto-4-quinazolone (I) is treated with ethyl iodide (II) in the presence of sodium ethoxide to yield 2-ethylthio-4-quinazolone (III). Reaction of (III) with N-benzylpiperazine (IV) to give (V) and followed by catalytic debenzylation with H2 over Pd/C in glacial acetic acid affords Centpiperalone.

参考文献中间体

合成目标

【1】 Gupta, C.M.; Muscimol analogs. II. Synthesis of some bicyclic 3-isoxazolol zwitterions. Med Chem 1968, 11, 3, 392.
【2】 Arya, V.P.; Centpiperalone. Drugs Fut 1979, 4, 8, 557.
【3】 Gupta, C.M.; et al.; Resveratrol regulates IGF-II in MCF-7 human breast cancer cells. Ind J Chem 1971, 9, 3, 201.

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)	61384	2-Mercapto-4(3H)-quinazolinone 2-Thio-4(3H)-quinazolinone; 2-Mercapto-4(3H)-quinazolinone 2-Thio-4(3H)-quinazolinone	13906-09-7	C₈H₆N₂OS	详情	详情
(II)	10925	Iodoethane;ethyl iod	75-03-6	C₂H₅I	详情	详情
(III)	61385	2-(ethylsulfanyl)-4(3H)-quinazolinone		C₁₀H₁₀N₂OS	详情	详情
(IV)	28542	N-Benzylpiperazine; 1-Benzylpiperazine	2759-28-6	C₁₁H₁₆N₂	详情	详情
(V)	61386	2-(4-benzyl-1-piperazinyl)-4(3H)-quinazolinone		C₁₉H₂₀N₄O	详情	详情

Extended Information