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【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.

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