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【结 构 式】

【分子编号】59717

【品名】(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione

【CA登记号】

【 分 子 式 】C27H39NO4S

【 分 子 量 】473.677

【元素组成】C 68.46% H 8.3% N 2.96% O 13.51% S 6.77%

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:(XIV)

Intramolecular cyclization of (XIII) in the presence of potassium tert-butoxide affords a racemic mixture of syn adducts, which can be resolved by chiral chromatography to provide the target (R,R)-isomer (XIV). Methyl ether cleavage in (XIV) employing methanesulfonic acid affords phenol (XV). This is then alkylated with 4-chlorobutanol (XVI) yielding ether (XVII). After conversion of the primary hydroxyl group of (XVII) into mesylate (XVIII), condensation with diazabicyclo[2.2.2]octane produces the title ammonium salt

1 Manning, R.E.; Tremont, S.J.; Glenn, K.C.; Keller, B.T. (Pharmacia Corp.); Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders. WO 0168096 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XIII) 59715 2-butyl-2-({[4-(dimethylamino)-2-(4-methoxybenzyl)phenyl]sulfonyl}methyl)hexanal C27H39NO4S 详情 详情
(XIV) 59717 (4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione C27H39NO4S 详情 详情
(XV) 59718 (4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione C26H37NO4S 详情 详情
(XVI) 22336 4-chloro-1-butanol 928-51-8 C4H9ClO 详情 详情
(XVII) 59719 (4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-5-[4-(4-hydroxybutoxy)phenyl]-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione C30H45NO5S 详情 详情
(XVIII) 59720 4-{4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]phenoxy}butyl methanesulfonate C31H47NO7S2 详情 详情
(XIX) 28358 1,4-diazabicyclo[2.2.2]octane 280-57-9 C6H12N2 详情 详情
Extended Information