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【结 构 式】

【分子编号】51860

【品名】1-[7-(aminomethyl)-4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]cyclohexanol

【CA登记号】

【 分 子 式 】C16H23NO2

【 分 子 量 】261.36416

【元素组成】C 73.53% H 8.87% N 5.36% O 12.24%

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)

Lithiation of 1-cyano-5-methoxybenzocyclobutane (I), followed by addition of cyclohexanone (II), provided the 1-hydroxycyclohexyl adduct (III). The cyano group of (III) was then reduced to amine (IV) using LiAlH4. Reductive alkylation of amine (IV) with formaldehyde and NaBH3CN furnished the corresponding dimethylamino derivative, which was then converted to the corresponding hydrochloride salt with ethereal HCl.

1 Brocco, M.; Harmange, J.-C.; Peglion, J.-L.; Dessinges, A.; Newman-Tancredi, A.; Millan, M. (ADIR et Cie.); Benzocyclobutan cpds., their process for preparation and pharmaceutical compsns. containing them. CA 2264372; EP 0940386; FR 2775687; JP 1999310557; US 6107345 .
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) 51858 4-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile C10H9NO 详情 详情
(II) 11059 Cyclohexanone 108-94-1 C6H10O 详情 详情
(III) 51859 7-(1-hydroxycyclohexyl)-4-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile C16H19NO2 详情 详情
(IV) 51860 1-[7-(aminomethyl)-4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]cyclohexanol C16H23NO2 详情 详情
Extended Information