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【结 构 式】

【分子编号】66844

【品名】(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate

【CA登记号】 

【 分 子 式 】C23H26N4O9.2H2SO4

【 分 子 量 】602.576

【元素组成】C 45.85% H 5.02% N 9.30% O 34.52% S 5.32%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(VII)

 

1 Krishnan L, Sum PE, Daigneault S, et aL. 2006. Process for the prepantion of tigecycline and methods of preparing 9-aminominocycline. W0 2006130500
2 Krishnan L, Sum PE, Daigneault S, et al. 2006. Preparation of tigecycline and 9-nitrominocycline. W0 2006130501
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(IX) 66846 (4S,4aS,5aR,12aS)-9-amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide hydrochloride   C23H28N4O7.HCl 详情 详情
(I) 17895 2-Amino-2-methylpropane; tert-butylamine; 2-methyl-2-propanamine 75-64-9 C4H11N 详情 详情
(II) 17430 2-Bromoacetic acid tert-butyl ester; tert-butyl 2-bromoacetate; tert-Butyl bromoacetate 5292-43-3 C6H11BrO2 详情 详情
(III) 66841 tert-butyl 2-(tert-butylamino)acetate   C10H21NO2 详情 详情
(IV) 66842 2-(tert-butylamino)acetic acid hydrochloride   C6H13NO2.HCl 详情 详情
(V) 66843 2-(tert-butylamino)acetyl chloride hydrochloride   C6H12ClNO.HCl 详情 详情
(VI) 65813 Minocycline hydrochloride; [4S-(4alpha,4aalpha,5aalpha,12aalpha)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride 13614-98-7 C23H27N3O7.HCl 详情 详情
(VII) 66844 (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate   C23H26N4O9.2H2SO4 详情 详情
(VIII) 66845 (4S,4aS,5aR,12aS)-9-amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate   C23H28N4O7.2H2SO4 详情 详情

合成路线2

该中间体在本合成路线中的序号:(II)

 

1 Sum PE, How DB, Hopper DW, et al. 2005. Preparation of oxazole derivatives of tetracyclines as antibacterial agents. W0 2005056538
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) 65813 Minocycline hydrochloride; [4S-(4alpha,4aalpha,5aalpha,12aalpha)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride 13614-98-7 C23H27N3O7.HCl 详情 详情
(II) 66844 (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate   C23H26N4O9.2H2SO4 详情 详情
(III) 66845 (4S,4aS,5aR,12aS)-9-amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide monosulfate   C23H28N4O7.2H2SO4 详情 详情
(IV) 66848 (4S,4aS,5aR,12aS)-2-(chloromethyl)-5,8-bis(dimethylamino)-9,11a,12-trihydroxy-11,13-dioxo-6,6a,7,7a,8,11,11a,13-octahydro-1H-cyclopenta[a]tetracene-10-carboxamide   C27H30ClN3O6 详情 详情
Extended Information