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【结 构 式】

【分子编号】60595

【品名】1-(2-ethyl-2-propenyl)-4-methylbenzene

【CA登记号】

【 分 子 式 】C12H16

【 分 子 量 】160.25904

【元素组成】C 89.94% H 10.06%

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:(IV)

Coupling between N-Boc-glycine (I) and 4-aminobenzonitrile (II) via activation with CDI yields amide (III). Subsequent acidic N-Boc group cleavage provides the amino acetanilide (IV). Reductive alkylation of amine (IV) with ethyl 4-oxopiperidine-1-acetate (V) leads to the aminopiperidine (VI). This is reductively alkylated with chloroacetaldehyde in the presence of NaBH3CN, to produce the chloroethyl amine (VII). Cyclization of (VII) by means of NaH in DMF furnishes the piperazinone (VIII). The cyano group of (VIII) is then converted to the corresponding ethyl imidate, which is further displaced with ammonium carbonate producing amidine (IX). Finally, saponification of the ethyl ester group of (IX) with LiOH gives rise to the title amidino acid

1 Akamatsu, S.; Matsumoto, Y.; Ichihara, M.; Kawasaki, T.; Kaku, S.; Yanagisawa, I. (Yamanouchi Pharmaceutical Co., Ltd.); Novel benzamidine derivs. and medicinal compsn. thereof. EP 0810215; JP 1996333341; JP 1996333342; US 5773442; WO 9624583 .
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) 60592 2-methyl-5-neopentyl-1,5-hexadiene C12H22 详情 详情
(II) 60593 p-xylene C8H10 详情 详情
(III) 60594 1-methyl-4-(2-methylene-5-neopentyl-5-hexenyl)benzene C19H28 详情 详情
(IV) 60595 1-(2-ethyl-2-propenyl)-4-methylbenzene C12H16 详情 详情
(V) 60596 1-methylene-4-(2-propyl-2-propenyl)cyclohexane C13H22 详情 详情
(VI) 60597 1-methyl-4-(2-{2-[4-(2-propyl-2-propenyl)cyclohexyl]ethyl}-2-propenyl)benzene C24H36 详情 详情
(VII) 60598 1-methyl-4-(2-{2-[4-(2-propyl-2-propenyl)cyclohexyl]pentyl}-2-propenyl)benzene C27H42 详情 详情
(VIII) 60599   C26H38 详情 详情
(IX) 60600 ethyl 2-[4-(4-{4-[amino(imino)methyl]phenyl}-3-oxo-1-piperazinyl)-1-piperidinyl]acetate C20H29N5O3 详情 详情
Extended Information